3-[(3S)-1-butylpiperidin-3-yl]phenol

C15H23NO — CID 12937975

IUPAC3-[(3S)-1-butylpiperidin-3-yl]phenol
SMILESCCCCN1CCC[C@@H](c2cccc(O)c2)C1
InChIInChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m1/s1
InChIKeyITXBDHMIXPKNIE-CQSZACIVSA-N
MW233.36 g/mol
LogP3.37
Rot. Bonds4

About 3-[(3S)-1-butylpiperidin-3-yl]phenol

3-[(3S)-1-butylpiperidin-3-yl]phenol (PubChem CID 12937975) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[(3S)-1-butylpiperidin-3-yl]phenol.

Molecular Properties

Compound Name3-[(3S)-1-butylpiperidin-3-yl]phenol
PubChem CID12937975
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[(3S)-1-butylpiperidin-3-yl]phenol
SMILESCCCCN1CCC[C@@H](c2cccc(O)c2)C1
InChIInChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m1/s1
InChIKeyITXBDHMIXPKNIE-CQSZACIVSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
CID 70044177
3-(1-butylpiperidin-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 123929588
3-phenyl-1-propylpiperidine
CID 12937946
1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 3053803
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indole-6-carboxylic acid
CID 19786713
3-(3-methylsulfonylphenyl)-1-propylpiperidine
CID 22283003
(3S)-1-propyl-3-(3-thiophen-3-ylphenyl)piperidine
CID 11778702
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163
4-[3-(3-decan-2-yloxyphenyl)piperidin-1-yl]butanoic acid
CID 123657572
benzene;3-[3-[(dimethylamino)methyl]-1-hexylpiperidin-4-yl]phenol
CID 174897850
5-(1-ethylpiperidin-3-yl)benzene-1,3-diol;hydrobromide
CID 70558034
3-cyclohexylphenol
CID 16036

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-butylpiperidin-3-yl]phenol?
The IUPAC name of 3-[(3S)-1-butylpiperidin-3-yl]phenol (CID 12937975) is 3-[(3S)-1-butylpiperidin-3-yl]phenol.
What is the SMILES notation for 3-[(3S)-1-butylpiperidin-3-yl]phenol?
The canonical SMILES for 3-[(3S)-1-butylpiperidin-3-yl]phenol is CCCCN1CCC[C@@H](c2cccc(O)c2)C1.
What is the InChIKey of 3-[(3S)-1-butylpiperidin-3-yl]phenol?
The InChIKey is ITXBDHMIXPKNIE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-9-16-10-5-7-14(12-16)13-6-4-8-15(17)11-13/h4,6,8,11,14,17H,2-3,5,7,9-10,12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[(3S)-1-butylpiperidin-3-yl]phenol?
3-[(3S)-1-butylpiperidin-3-yl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-butylpiperidin-3-yl]phenol is sourced from PubChem (CID 12937975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).