1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol

C53H115N9O2 — CID 159852569

IUPAC1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol
SMILESCC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN1CCC(NC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H20N2.C9H19NO.C9H19N.C8H18N2.C8H17NO/c1-10(2,3)11-9-5-7-12(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9/h9,11H,5-8H2,1-4H3;5-8H2,1-4H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyNQCXHTNQKLCOJL-UHFFFAOYSA-N
MW910.56 g/mol
LogP7.82
Rot. Bonds1

About 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol

1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol (PubChem CID 159852569) has the molecular formula C53H115N9O2 and a molecular weight of 910.56 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol
PubChem CID159852569
Molecular FormulaC53H115N9O2
Molecular Weight910.56 g/mol
Exact Mass909.92
IUPAC Name1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol
SMILESCC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN1CCC(NC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C9H20N2.C9H19NO.C9H19N.C8H18N2.C8H17NO/c1-10(2,3)11-9-5-7-12(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9/h9,11H,5-8H2,1-4H3;5-8H2,1-4H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyNQCXHTNQKLCOJL-UHFFFAOYSA-N
XLogP7.82
TPSA76.20 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500910.56
LogP ≤ 57.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S,3R,4S,5S)-3-(4-methylpiperazin-1-yl)-5-morpholin-4-yl-4-piperazin-1-ylhexan-2-yl]piperidin-4-ol
CID 130178577
1-[(2S,3R,4R,5S,6S)-2-(4-methoxypiperidin-1-yl)-4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-5-piperazin-1-ylheptan-3-yl]piperidin-4-ol
CID 130178637
1-Methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol
CID 148920634
N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium
CID 155702607
4-(2,3-dimethylbutan-2-yl)morpholine;2,2-dimethyl-1-(2-methylpropyl)piperazine;4-[(2R)-3-methylbutan-2-yl]morpholine;4-[(2S)-3-methylbutan-2-yl]morpholine;4-(3-methylbutan-2-yl)morpholine;1-[(2R)-3-methylbutan-2-yl]piperidin-4-ol;1-[(2S)-3-methylbutan-2-yl]piperidin-4-ol;1-(3-methylbutan-2-yl)piperidin-4-ol;(3R)-1-[(2R)-3-methylbutan-2-yl]piperidin-3-ol;(2R)-2-methyl-4-(3-methylbutan-2-yl)morpholine;(2S)-2-methyl-4-(3-methylbutan-2-yl)morpholine;2-methyl-4-(3-methylbutan-2-yl)morpholine;N-methyl-N-(2-methylpropyl)oxetan-3-amine;1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;4-propan-2-yloxyoxane;2,2,4-trimethyl-1-(2-methylpropyl)piperazine
CID 157098487
(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1,5-dimethylpiperidin-4-ol;bis((3S,5R)-1,5-dimethylpiperidin-3-amine);ethane;bis((3S)-1-methylpiperidin-3-amine)
CID 157140155
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidin-4-ol;1-tert-butylpiperidin-4-one;4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylmorpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-(1-tert-butylpiperidin-4-yl)piperazine;2-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanol;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine
CID 157440951
1-Ethyl-4-methylpiperazine;4-ethylmorpholine;1-ethylpiperazine;1-ethylpiperidine;1-ethylpyrrolidine;methane;1-methylpiperazine;morpholine;piperazine;piperazin-1-ylmethanol;piperidine;piperidin-4-ol;pyrrolidine
CID 157635825
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-tert-butylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine
CID 157646828
Bis(1,2-dimethylpiperazine);bis(1,3-dimethylpiperazine);(1-methylpiperazin-2-yl)methanol;(4-methylpiperazin-2-yl)methanol;tris(1,2,4-trimethylpiperazine)
CID 157762871
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidin-4-ol;4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylmorpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine;1-(1-tert-butylpiperidin-4-yl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine
CID 158097837
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine
CID 158198814

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol (CID 159852569) is 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol is CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN1CCC(NC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol?
The InChIKey is NQCXHTNQKLCOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H20N2.C9H19NO.C9H19N.C8H18N2.C8H17NO/c1-10(2,3)11-9-5-7-12(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9/h9,11H,5-8H2,1-4H3;5-8H2,1-4H3;8,11H,4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol?
1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol has a molecular weight of 910.56 g/mol, XLogP of 7.82, 1 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;N-tert-butyl-1-methylpiperidin-4-amine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-4-ol is sourced from PubChem (CID 159852569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).