2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol

C16H31NO — CID 11288253

IUPAC2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol
SMILESC=C[C@H]1CN(CCCCCCC)CC[C@@H]1CCO
InChIInChI=1S/C16H31NO/c1-3-5-6-7-8-11-17-12-9-16(10-13-18)15(4-2)14-17/h4,15-16,18H,2-3,5-14H2,1H3/t15-,16+/m0/s1
InChIKeyNVYJDNRWHWNUCO-JKSUJKDBSA-N
MW253.43 g/mol
LogP3.46
Rot. Bonds9

About 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol

2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol (PubChem CID 11288253) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol
PubChem CID11288253
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol
SMILESC=C[C@H]1CN(CCCCCCC)CC[C@@H]1CCO
InChIInChI=1S/C16H31NO/c1-3-5-6-7-8-11-17-12-9-16(10-13-18)15(4-2)14-17/h4,15-16,18H,2-3,5-14H2,1H3/t15-,16+/m0/s1
InChIKeyNVYJDNRWHWNUCO-JKSUJKDBSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-pent-4-enylpiperidin-2-ol
CID 134859970
2-(3-Ethenyl-1-heptylpiperidin-4-yl)ethanol
CID 17900681
2-[(3R,4S)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol
CID 56990867
1-Methyl-3-prop-2-enylpiperidin-4-ol
CID 59827004
1,2,2,3-Tetrakis(prop-2-enyl)piperidin-4-ol
CID 69389787
2-(2-Ethyl-1-hept-3-enylpiperidin-4-yl)ethanol
CID 70282112
2-(3-Ethenylpiperidin-4-yl)propan-1-ol
CID 123575664
3-[1-[(E)-but-2-enyl]piperidin-3-yl]propan-1-ol;ethane
CID 143202530
1-[(4S)-1-tert-butyl-5-ethyl-4-methylpiperidin-3-yl]prop-2-en-1-ol
CID 144774566
(4-Ethenyl-1-methylpiperidin-3-yl)methanol
CID 166946029
{1-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-3-piperidinyl}methanol
CID 2845617
[(3S)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-3-yl]methanol
CID 7074560

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol (CID 11288253) is 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol is C=C[C@H]1CN(CCCCCCC)CC[C@@H]1CCO.
What is the InChIKey of 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol?
The InChIKey is NVYJDNRWHWNUCO-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-5-6-7-8-11-17-12-9-16(10-13-18)15(4-2)14-17/h4,15-16,18H,2-3,5-14H2,1H3/t15-,16+/m0/s1.
What are the key properties of 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol?
2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol has a molecular weight of 253.43 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethanol is sourced from PubChem (CID 11288253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).