[(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol

C16H27NO — CID 7074560

IUPAC[(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol
SMILESC=C(C)[C@@H]1CC=C(CN2CCC[C@H](CO)C2)CC1
InChIInChI=1S/C16H27NO/c1-13(2)16-7-5-14(6-8-16)10-17-9-3-4-15(11-17)12-18/h5,15-16,18H,1,3-4,6-12H2,2H3/t15-,16+/m0/s1
InChIKeyQQVARLSXVZRUCB-JKSUJKDBSA-N
MW249.40 g/mol
LogP2.99
Rot. Bonds4

About [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol

[(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol (PubChem CID 7074560) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol
PubChem CID7074560
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol
SMILESC=C(C)[C@@H]1CC=C(CN2CCC[C@H](CO)C2)CC1
InChIInChI=1S/C16H27NO/c1-13(2)16-7-5-14(6-8-16)10-17-9-3-4-15(11-17)12-18/h5,15-16,18H,1,3-4,6-12H2,2H3/t15-,16+/m0/s1
InChIKeyQQVARLSXVZRUCB-JKSUJKDBSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

1-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-4-piperidinol
CID 2846086
Cambridge id 5429856
CID 783454
3-hydroxy-N-methyl-tetrahydroisoquinoline
CID 129678249
1-[cis-3,5-Bis(hydroxymethyl)cyclohex-1-enyl]methyl-2,2,6,6tetra methylpiperidine
CID 156905643
2-(3-Ethenyl-1-heptylpiperidin-4-yl)ethanol
CID 17900681
2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027121
actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027122
2-[(3R,4S)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol
CID 56990867
2-(2-Ethyl-1-hept-3-enylpiperidin-4-yl)ethanol
CID 70282112
(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596071
1-Methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596074
(3R,4S)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596075

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol (CID 7074560) is [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol is C=C(C)[C@@H]1CC=C(CN2CCC[C@H](CO)C2)CC1.
What is the InChIKey of [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is QQVARLSXVZRUCB-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)16-7-5-14(6-8-16)10-17-9-3-4-15(11-17)12-18/h5,15-16,18H,1,3-4,6-12H2,2H3/t15-,16+/m0/s1.
What are the key properties of [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol?
[(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 249.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 7074560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).