[1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol

C12H17ClN2O — CID 43133157

IUPAC[1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol
SMILESNc1cc(Cl)ccc1N1CCC(CO)CC1
InChIInChI=1S/C12H17ClN2O/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8,14H2
InChIKeyRKBDEYDDNCNVHV-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.13
Rot. Bonds2

About [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol

[1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol (PubChem CID 43133157) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol
PubChem CID43133157
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol
SMILESNc1cc(Cl)ccc1N1CCC(CO)CC1
InChIInChI=1S/C12H17ClN2O/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8,14H2
InChIKeyRKBDEYDDNCNVHV-UHFFFAOYSA-N
XLogP2.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.13
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-Piperazineethanol, 4-(3-chlorophenyl)-
CID 96703
5-Chloro-2-(morpholin-4-yl)aniline
CID 846189
5-Chloro-2-(4-methyl-1-piperazinyl)benzenamine
CID 2104082
5-Chloro-2-(piperidin-1-yl)aniline
CID 285317
5-Chloro-2-(4-ethylpiperazin-1-yl)aniline
CID 2566080
3-(4-(3-Chlorophenyl)piperazin-1-yl)propan-1-ol
CID 257407
N-(4-chlorophenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 54878877
[1-(4-Chlorophenyl)piperidin-3-yl]methanol
CID 10013911
5-Chloro-2-(piperidin-1-yl)aniline hydrochloride
CID 43810414
4-Chloro-2-(piperidin-1-yl)aniline
CID 66545138
3-Chloro-2-(4-methylpiperidin-1-yl)aniline
CID 1079271
5-Chloro-2-(4-methylpiperazin-1-yl)aniline dihydrochloride
CID 45792256

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol (CID 43133157) is [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol is Nc1cc(Cl)ccc1N1CCC(CO)CC1.
What is the InChIKey of [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol?
The InChIKey is RKBDEYDDNCNVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-10-1-2-12(11(14)7-10)15-5-3-9(8-16)4-6-15/h1-2,7,9,16H,3-6,8,14H2.
What are the key properties of [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol?
[1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol has a molecular weight of 240.73 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-chlorophenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 43133157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).