2-[(1-benzylpiperidin-4-yl)-methylamino]phenol

C19H24N2O — CID 57245914

IUPAC2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
SMILESCN(c1ccccc1O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O/c1-20(18-9-5-6-10-19(18)22)17-11-13-21(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,22H,11-15H2,1H3
InChIKeyHGPWKFZBBAMZFO-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.49
Rot. Bonds4

About 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol

2-[(1-benzylpiperidin-4-yl)-methylamino]phenol (PubChem CID 57245914) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
PubChem CID57245914
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
SMILESCN(c1ccccc1O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O/c1-20(18-9-5-6-10-19(18)22)17-11-13-21(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,22H,11-15H2,1H3
InChIKeyHGPWKFZBBAMZFO-UHFFFAOYSA-N
XLogP3.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
1-benzyl-4-[methyl(sulfinato)amino]piperidine
CID 59098116
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(1-benzylpiperidin-4-yl)methanesulfonic acid
CID 150183274
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol (CID 57245914) is 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol is CN(c1ccccc1O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol?
The InChIKey is HGPWKFZBBAMZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20(18-9-5-6-10-19(18)22)17-11-13-21(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,22H,11-15H2,1H3.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol?
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol has a molecular weight of 296.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)-methylamino]phenol is sourced from PubChem (CID 57245914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).