(2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol

C15H27NO — CID 102259872

IUPAC(2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol
SMILESC=CCC[C@H]1C[C@@H](O)C[C@@H](C2CCCCC2)N1
InChIInChI=1S/C15H27NO/c1-2-3-9-13-10-14(17)11-15(16-13)12-7-5-4-6-8-12/h2,12-17H,1,3-11H2/t13-,14+,15-/m0/s1
InChIKeyROQVHXHRFWXRJX-ZNMIVQPWSA-N
MW237.39 g/mol
LogP3.01
Rot. Bonds4

About (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol

(2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol (PubChem CID 102259872) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol
PubChem CID102259872
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol
SMILESC=CCC[C@H]1C[C@@H](O)C[C@@H](C2CCCCC2)N1
InChIInChI=1S/C15H27NO/c1-2-3-9-13-10-14(17)11-15(16-13)12-7-5-4-6-8-12/h2,12-17H,1,3-11H2/t13-,14+,15-/m0/s1
InChIKeyROQVHXHRFWXRJX-ZNMIVQPWSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol 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

(2S,6R,7S,8S)-2-Allyl-7-vinyl-1-azaspiro[5.5]undecan-8-ol
CID 566049
4-Vinyl-trans-decahydroquinolol
CID 129789427
Spiro[cyclohexanol-5,6'-hexahydropyridine], 2'-[4-pentenyl]-
CID 606637
2-(Piperidin-2-yl)cyclohexan-1-ol
CID 17933922
2-Hydroxyethyl-2-azaspiro-[5.5]-undec-7-ene
CID 20403159
(3S,4S)-5-cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918983
5-Cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918995
1,2,3,4,4a,5,8,8a-Octahydroquinolin-8-ylmethanol
CID 68213276
1,2,3,4,4a,5,8,8a-Octahydroquinolin-3-ylmethanol
CID 68213312
(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
(2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol
CID 69387925

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol?
The IUPAC name of (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol (CID 102259872) is (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol.
What is the SMILES notation for (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol?
The canonical SMILES for (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol is C=CCC[C@H]1C[C@@H](O)C[C@@H](C2CCCCC2)N1.
What is the InChIKey of (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol?
The InChIKey is ROQVHXHRFWXRJX-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-9-13-10-14(17)11-15(16-13)12-7-5-4-6-8-12/h2,12-17H,1,3-11H2/t13-,14+,15-/m0/s1.
What are the key properties of (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol?
(2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol has a molecular weight of 237.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2-but-3-enyl-6-cyclohexylpiperidin-4-ol is sourced from PubChem (CID 102259872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).