1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol

C18H21ClN2O — CID 69336944

IUPAC1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol
SMILESNc1ccc(Cl)cc1-c1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C18H21ClN2O/c19-15-5-6-18(20)17(11-15)14-3-1-13(2-4-14)12-21-9-7-16(22)8-10-21/h1-6,11,16,22H,7-10,12,20H2
InChIKeyOFQNJKVOSRDFJP-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.55
Rot. Bonds3

About 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol

1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol (PubChem CID 69336944) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol
PubChem CID69336944
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol
SMILESNc1ccc(Cl)cc1-c1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C18H21ClN2O/c19-15-5-6-18(20)17(11-15)14-3-1-13(2-4-14)12-21-9-7-16(22)8-10-21/h1-6,11,16,22H,7-10,12,20H2
InChIKeyOFQNJKVOSRDFJP-UHFFFAOYSA-N
XLogP3.55
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174445442
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
1-[[4-(3-chloro-4-fluorophenyl)-3-methoxyphenyl]methyl]piperidin-4-ol
CID 66764283
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 62941868
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
4-chloro-2-(4-cyclohexylphenyl)aniline
CID 81275663
1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol
CID 162718521
2-(4-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552077
5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide
CID 56552188
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
CID 91085209
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol (CID 69336944) is 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol is Nc1ccc(Cl)cc1-c1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is OFQNJKVOSRDFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c19-15-5-6-18(20)17(11-15)14-3-1-13(2-4-14)12-21-9-7-16(22)8-10-21/h1-6,11,16,22H,7-10,12,20H2.
What are the key properties of 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol?
1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 316.83 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 69336944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).