[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride

C14H22ClNO — CID 154924786

IUPAC[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(CCc2ccccc2)CCCNC1
InChIInChI=1S/C14H21NO.ClH/c16-12-14(8-4-10-15-11-14)9-7-13-5-2-1-3-6-13;/h1-3,5-6,15-16H,4,7-12H2;1H
InChIKeyXEZANDLSCUGSFM-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.40
Rot. Bonds4

About [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride

[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride (PubChem CID 154924786) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride
PubChem CID154924786
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(CCc2ccccc2)CCCNC1
InChIInChI=1S/C14H21NO.ClH/c16-12-14(8-4-10-15-11-14)9-7-13-5-2-1-3-6-13;/h1-3,5-6,15-16H,4,7-12H2;1H
InChIKeyXEZANDLSCUGSFM-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol
CID 68829570
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
[3-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
CID 146121139
3-benzyl-3-(fluoromethyl)piperidine
CID 84779719
3-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 79426364
3-benzyl-3-prop-2-enylpiperidine
CID 123751014
[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol
CID 66059792
[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
CID 66060227
2-phenylethanol;piperidine
CID 143551130
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 154892250
N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
CID 63533952

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride?
The IUPAC name of [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride (CID 154924786) is [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride is Cl.OCC1(CCc2ccccc2)CCCNC1.
What is the InChIKey of [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride?
The InChIKey is XEZANDLSCUGSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c16-12-14(8-4-10-15-11-14)9-7-13-5-2-1-3-6-13;/h1-3,5-6,15-16H,4,7-12H2;1H.
What are the key properties of [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride?
[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 154924786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).