(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol

C12H21NO — CID 11708221

IUPAC(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
SMILESO[C@H]1CCNC[C@@H]1C1=CCCCCC1
InChIInChI=1S/C12H21NO/c14-12-7-8-13-9-11(12)10-5-3-1-2-4-6-10/h5,11-14H,1-4,6-9H2/t11-,12+/m1/s1
InChIKeyCQJATDHBUADOBA-NEPJUHHUSA-N
MW195.31 g/mol
LogP1.85
Rot. Bonds1

About (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol

(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol (PubChem CID 11708221) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
PubChem CID11708221
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
SMILESO[C@H]1CCNC[C@@H]1C1=CCCCCC1
InChIInChI=1S/C12H21NO/c14-12-7-8-13-9-11(12)10-5-3-1-2-4-6-10/h5,11-14H,1-4,6-9H2/t11-,12+/m1/s1
InChIKeyCQJATDHBUADOBA-NEPJUHHUSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol
CID 175499380
4-[(5S)-4,5-dipropylcyclohex-3-en-1-yl]oxypiperidine
CID 68083442
1,2,3,4,4a,5,8,8a-Octahydroquinolin-8-ylmethanol
CID 68213276
(2S)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroisoquinolin-1-yl)propan-2-ol
CID 69367382
1-Amino-3-(1,2,3,4,4a,5,6,7-octahydroisoquinolin-1-yl)propan-2-ol
CID 69367392
(4-Pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol
CID 70034791
4-(Cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 91096213
2,3,4,5,5a,6,7,8-octahydro-1H-3-benzazepin-5-ol
CID 123871950
1,2,3,4,4a,5,6,7-Octahydroquinolin-4-ol
CID 141412740
1-[(1R)-cyclohex-2-en-1-yl]-3-(methylamino)propan-1-ol
CID 141795329
3-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol
CID 145601154
4-(5-Methylpiperidin-2-yl)cyclohex-3-en-1-ol
CID 164753318

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol?
The IUPAC name of (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol (CID 11708221) is (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol?
The canonical SMILES for (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol is O[C@H]1CCNC[C@@H]1C1=CCCCCC1.
What is the InChIKey of (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol?
The InChIKey is CQJATDHBUADOBA-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H21NO/c14-12-7-8-13-9-11(12)10-5-3-1-2-4-6-10/h5,11-14H,1-4,6-9H2/t11-,12+/m1/s1.
What are the key properties of (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol?
(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol has a molecular weight of 195.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol is sourced from PubChem (CID 11708221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).