3-[(1-benzylpiperidin-4-yl)amino]phenol

C18H22N2O — CID 28722324

IUPAC3-[(1-benzylpiperidin-4-yl)amino]phenol
SMILESOc1cccc(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O/c21-18-8-4-7-17(13-18)19-16-9-11-20(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16,19,21H,9-12,14H2
InChIKeyJQELTMXWGKCADG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.47
Rot. Bonds4

About 3-[(1-benzylpiperidin-4-yl)amino]phenol

3-[(1-benzylpiperidin-4-yl)amino]phenol (PubChem CID 28722324) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)amino]phenol
PubChem CID28722324
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[(1-benzylpiperidin-4-yl)amino]phenol
SMILESOc1cccc(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O/c21-18-8-4-7-17(13-18)19-16-9-11-20(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16,19,21H,9-12,14H2
InChIKeyJQELTMXWGKCADG-UHFFFAOYSA-N
XLogP3.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-amine
CID 118997215
3-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]phenyl]propanoic acid
CID 122044493
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 60602821
4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593822
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
CID 115656855
3-[[4-(4-phenylbutyl)cyclohexyl]amino]phenol
CID 163856195
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]phenol?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)amino]phenol (CID 28722324) is 3-[(1-benzylpiperidin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)amino]phenol?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)amino]phenol is Oc1cccc(NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)amino]phenol?
The InChIKey is JQELTMXWGKCADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-8-4-7-17(13-18)19-16-9-11-20(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16,19,21H,9-12,14H2.
What are the key properties of 3-[(1-benzylpiperidin-4-yl)amino]phenol?
3-[(1-benzylpiperidin-4-yl)amino]phenol has a molecular weight of 282.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-4-yl)amino]phenol is sourced from PubChem (CID 28722324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).