2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol

C16H25NO — CID 71155880

IUPAC2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol
SMILESCC[C@@]1(CCO)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-2-16(10-12-18)9-6-11-17(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyVPYLBFNXJDWDLE-INIZCTEOSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds5

About 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol

2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol (PubChem CID 71155880) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol
PubChem CID71155880
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol
SMILESCC[C@@]1(CCO)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-2-16(10-12-18)9-6-11-17(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3/t16-/m0/s1
InChIKeyVPYLBFNXJDWDLE-INIZCTEOSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
N,N-Dibenzylethanolamine
CID 22657
1-Benzylpiperidin-4-ol
CID 78461
(1-Benzylpiperidin-4-yl)methanol
CID 736802
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270
{3-benzyl-1-[(2E)-2-methylbut-2-en-1-yl]piperidin-3-yl}methanol
CID 16188287
[1-Cyclobutyl-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 23723713
2-[4-Cyclobutyl-1-(4-methylbenzyl)piperazin-2-yl]ethanol
CID 23723903
(4-Benzyl-1-methylpiperidin-4-yl)methanol
CID 16191162
4-Piperidinemethanol, 1-methyl-4-phenyl-
CID 199461
(1-Benzylpiperidin-3-yl)methanol
CID 10398044

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol (CID 71155880) is 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol is CC[C@@]1(CCO)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol?
The InChIKey is VPYLBFNXJDWDLE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-16(10-12-18)9-6-11-17(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol?
2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-benzyl-3-ethylpiperidin-3-yl]ethanol is sourced from PubChem (CID 71155880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).