(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol

C14H21NO — CID 27055523

IUPAC(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
SMILESCCc1ccc(CN2CCC[C@H](O)C2)cc1
InChIInChI=1S/C14H21NO/c1-2-12-5-7-13(8-6-12)10-15-9-3-4-14(16)11-15/h5-8,14,16H,2-4,9-11H2,1H3/t14-/m0/s1
InChIKeyVETBTEYABCXLTH-AWEZNQCLSA-N
MW219.33 g/mol
LogP2.21
Rot. Bonds3

About (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol

(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol (PubChem CID 27055523) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
PubChem CID27055523
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
SMILESCCc1ccc(CN2CCC[C@H](O)C2)cc1
InChIInChI=1S/C14H21NO/c1-2-12-5-7-13(8-6-12)10-15-9-3-4-14(16)11-15/h5-8,14,16H,2-4,9-11H2,1H3/t14-/m0/s1
InChIKeyVETBTEYABCXLTH-AWEZNQCLSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-[(4-ethylphenyl)methyl]piperidine
CID 63386785
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
CID 165424779
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 61434501
(3R)-1-benzylazepan-3-ol
CID 124585423
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol
CID 115903800
(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-ol
CID 764103
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672342

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol (CID 27055523) is (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol is CCc1ccc(CN2CCC[C@H](O)C2)cc1.
What is the InChIKey of (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol?
The InChIKey is VETBTEYABCXLTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-12-5-7-13(8-6-12)10-15-9-3-4-14(16)11-15/h5-8,14,16H,2-4,9-11H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol?
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol has a molecular weight of 219.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 27055523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).