(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol

C67H146FN15O — CID 159184738

IUPAC(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC/C(=C(\F)CN)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC1CN(C(C)C)CCN1.CNC1CCCN(C(C)C)C1
InChIInChI=1S/C10H19FN2.2C9H20N2.3C8H18N2.C8H17NO.C7H16N2/c1-8(2)13-5-3-4-9(7-13)10(11)6-12;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-4-5-9(7-11)10-3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-8-4-6-9/h8H,3-7,12H2,1-2H3;7-10H,5-6H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3/b10-9+;;;;;;;/t;8-,9+;;;;;;
InChIKeyKNINPMRIMDBOIS-VHVVODCUSA-N
MW1197.01 g/mol
LogP7.13
Rot. Bonds10

About (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol

(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol (PubChem CID 159184738) has the molecular formula C67H146FN15O and a molecular weight of 1197.01 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol
PubChem CID159184738
Molecular FormulaC67H146FN15O
Molecular Weight1197.01 g/mol
Exact Mass1196.18
IUPAC Name(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC/C(=C(\F)CN)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC1CN(C(C)C)CCN1.CNC1CCCN(C(C)C)C1
InChIInChI=1S/C10H19FN2.2C9H20N2.3C8H18N2.C8H17NO.C7H16N2/c1-8(2)13-5-3-4-9(7-13)10(11)6-12;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-4-5-9(7-11)10-3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-8-4-6-9/h8H,3-7,12H2,1-2H3;7-10H,5-6H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3/b10-9+;;;;;;;/t;8-,9+;;;;;;
InChIKeyKNINPMRIMDBOIS-VHVVODCUSA-N
XLogP7.13
TPSA149.55 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001197.01
LogP ≤ 57.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine-3,4-diol;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;1-propan-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 157098889
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
tert-butyl 2-(1-tert-butylpiperidin-3-yl)acetate;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1-tert-butylpyrrolidin-3-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;ethyl 1-propan-2-ylpiperidine-4-carboxylate;3-methyl-1-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidine-4-carboxylic acid;1-propan-2-ylpiperidine-3,4-diol;1-propan-2-ylpyrrolidine-3,4-diol
CID 158055497
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
methane;1-propan-2-ylpiperidin-4-ol
CID 158347030
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
1-propan-2-ylpiperazine;vanadium
CID 162375922
N-cyclopentyl-2-(3-methylpiperazin-1-yl)propanamide
CID 65447521
N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol (CID 159184738) is (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC/C(=C(\F)CN)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC1CN(C(C)C)CCN1.CNC1CCCN(C(C)C)C1.
What is the InChIKey of (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol?
The InChIKey is KNINPMRIMDBOIS-VHVVODCUSA-N. The full InChI is InChI=1S/C10H19FN2.2C9H20N2.3C8H18N2.C8H17NO.C7H16N2/c1-8(2)13-5-3-4-9(7-13)10(11)6-12;1-7(2)11-5-8(3)10-9(4)6-11;1-8(2)11-6-4-5-9(7-11)10-3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9-8(3)6-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-8-4-6-9/h8H,3-7,12H2,1-2H3;7-10H,5-6H2,1-4H3;8-10H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3/b10-9+;;;;;;;/t;8-,9+;;;;;;.
What are the key properties of (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol?
(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol has a molecular weight of 1197.01 g/mol, XLogP of 7.13, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(2E)-2-fluoro-2-(1-propan-2-ylpiperidin-3-ylidene)ethanamine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 159184738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).