1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one

C202H403F4N25O4 — CID 159762480

IUPAC1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CN(c2ncccc2F)C1.CC(C)(C)C1CN(c2ncccn2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1(F)CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H17FN2.C12H25N.C11H17N3.C11H22N2.C11H24N2.C11H23N.C10H20FN.C10H21N.C10H20.C9H18FN.2C9H19NO.C9H17NO.5C9H19N.C8H16FN.C8H15NO.C7H15N/c1-12(2,3)9-7-15(8-9)11-10(13)5-4-6-14-11;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-11(2,3)9-7-14(8-9)10-12-5-4-6-13-10;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-12-8-6-10(7-9-12)11(2,3)4;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)11-6-5-9(4,10)7-11;2*1-9(2,3)10-6-5-8(7-10)11-4;1-9(2,3)10-7-5-4-6-8(10)11;4*1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)8-5-4-6-8/h4-6,9H,7-8H2,1-3H3;10-11H,6-9H2,1-5H3;4-6,9H,7-8H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;5-8H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;5-7H2,1-4H3;2*8H,5-7H2,1-4H3;4-7H2,1-3H3;4*8H,5-7H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;4-6H2,1-3H3;4-6H2,1-3H3/t;;;;;;;;;;2*8-;;4*8-;;;;/m..........10.1100..../s1
InChIKeyNFBLFWZCMALSMH-LRIXAMNRSA-N
MW3322.61 g/mol
LogP45.23
Rot. Bonds8

About 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one

1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one (PubChem CID 159762480) has the molecular formula C202H403F4N25O4 and a molecular weight of 3322.61 g/mol. Its IUPAC name is 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
PubChem CID159762480
Molecular FormulaC202H403F4N25O4
Molecular Weight3322.61 g/mol
Exact Mass3320.20
IUPAC Name1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CN(c2ncccc2F)C1.CC(C)(C)C1CN(c2ncccn2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1(F)CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H17FN2.C12H25N.C11H17N3.C11H22N2.C11H24N2.C11H23N.C10H20FN.C10H21N.C10H20.C9H18FN.2C9H19NO.C9H17NO.5C9H19N.C8H16FN.C8H15NO.C7H15N/c1-12(2,3)9-7-15(8-9)11-10(13)5-4-6-14-11;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-11(2,3)9-7-14(8-9)10-12-5-4-6-13-10;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-12-8-6-10(7-9-12)11(2,3)4;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)11-6-5-9(4,10)7-11;2*1-9(2,3)10-6-5-8(7-10)11-4;1-9(2,3)10-7-5-4-6-8(10)11;4*1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)8-5-4-6-8/h4-6,9H,7-8H2,1-3H3;10-11H,6-9H2,1-5H3;4-6,9H,7-8H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;5-8H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;5-7H2,1-4H3;2*8H,5-7H2,1-4H3;4-7H2,1-3H3;4*8H,5-7H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;4-6H2,1-3H3;4-6H2,1-3H3/t;;;;;;;;;;2*8-;;4*8-;;;;/m..........10.1100..../s1
InChIKeyNFBLFWZCMALSMH-LRIXAMNRSA-N
XLogP45.23
TPSA162.55 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds8
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003322.61
LogP ≤ 545.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
CID 158312252
1-tert-butylazetidine;2-(1-tert-butylazetidin-3-yl)-3-fluoropyridine;2-(1-tert-butylazetidin-3-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-4-fluoropiperidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);bis((3S)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 161525877
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholine;4-tert-butyloxane;1-tert-butylpiperidin-2-one;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane
CID 161537186
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;bis((3R)-1-tert-butyl-3-methylpyrrolidine);bis((3S)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butylpyrrolidin-2-one
CID 161655025
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;4-tert-butyl-1-fluoro-1-methylcyclohexane;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one
CID 157784784

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one (CID 159762480) is 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one is CC(C)(C)C1CCCCC1.CC(C)(C)C1CN(c2ncccc2F)C1.CC(C)(C)C1CN(c2ncccn2)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1(F)CCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)CC1.CC1(F)CN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one?
The InChIKey is NFBLFWZCMALSMH-LRIXAMNRSA-N. The full InChI is InChI=1S/C12H17FN2.C12H25N.C11H17N3.C11H22N2.C11H24N2.C11H23N.C10H20FN.C10H21N.C10H20.C9H18FN.2C9H19NO.C9H17NO.5C9H19N.C8H16FN.C8H15NO.C7H15N/c1-12(2,3)9-7-15(8-9)11-10(13)5-4-6-14-11;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-11(2,3)9-7-14(8-9)10-12-5-4-6-13-10;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-12-8-6-10(7-9-12)11(2,3)4;1-9(2,3)12-7-5-10(4,11)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)11-6-5-9(4,10)7-11;2*1-9(2,3)10-6-5-8(7-10)11-4;1-9(2,3)10-7-5-4-6-8(10)11;4*1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)8-5-4-6-8/h4-6,9H,7-8H2,1-3H3;10-11H,6-9H2,1-5H3;4-6,9H,7-8H2,1-3H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;5-8H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;5-7H2,1-4H3;2*8H,5-7H2,1-4H3;4-7H2,1-3H3;4*8H,5-7H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;4-6H2,1-3H3;4-6H2,1-3H3/t;;;;;;;;;;2*8-;;4*8-;;;;/m..........10.1100..../s1.
What are the key properties of 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one?
1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one has a molecular weight of 3322.61 g/mol, XLogP of 45.23, 8 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;2-(3-tert-butylazetidin-1-yl)-3-fluoropyridine;2-(3-tert-butylazetidin-1-yl)pyrimidine;tert-butylcyclohexane;1-tert-butyl-4-cyclopropylpiperazine;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-4-fluoro-4-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);bis((3R)-1-tert-butyl-3-methylpyrrolidine);1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;1-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 159762480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).