1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride

C20H26ClNO — CID 19095553

IUPAC1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
SMILESCc1cccc(C2(O)CCCN(Cc3ccccc3)C2)c1C.Cl
InChIInChI=1S/C20H25NO.ClH/c1-16-8-6-11-19(17(16)2)20(22)12-7-13-21(15-20)14-18-9-4-3-5-10-18;/h3-6,8-11,22H,7,12-15H2,1-2H3;1H
InChIKeyQYVKPFCWDRNFQE-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.21
Rot. Bonds3

About 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride

1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride (PubChem CID 19095553) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
PubChem CID19095553
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
SMILESCc1cccc(C2(O)CCCN(Cc3ccccc3)C2)c1C.Cl
InChIInChI=1S/C20H25NO.ClH/c1-16-8-6-11-19(17(16)2)20(22)12-7-13-21(15-20)14-18-9-4-3-5-10-18;/h3-6,8-11,22H,7,12-15H2,1-2H3;1H
InChIKeyQYVKPFCWDRNFQE-UHFFFAOYSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol
CID 44514801
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
3-[[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 77086540
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 131084399
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride?
The IUPAC name of 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride (CID 19095553) is 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride?
The canonical SMILES for 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride is Cc1cccc(C2(O)CCCN(Cc3ccccc3)C2)c1C.Cl.
What is the InChIKey of 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride?
The InChIKey is QYVKPFCWDRNFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c1-16-8-6-11-19(17(16)2)20(22)12-7-13-21(15-20)14-18-9-4-3-5-10-18;/h3-6,8-11,22H,7,12-15H2,1-2H3;1H.
What are the key properties of 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride?
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride is sourced from PubChem (CID 19095553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).