1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol

C12H17ClN2O — CID 43169013

IUPAC1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
SMILESNc1cc(CN2CCC(O)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-2-1-9(7-12(11)14)8-15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8,14H2
InChIKeyFUBYRTGCDIWVOK-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.88
Rot. Bonds2

About 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol

1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol (PubChem CID 43169013) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
PubChem CID43169013
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
SMILESNc1cc(CN2CCC(O)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-2-1-9(7-12(11)14)8-15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8,14H2
InChIKeyFUBYRTGCDIWVOK-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43169014
2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696145
2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 61219359
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-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol
CID 69336944
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
1-[4-[(3-amino-4-chlorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55004147
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol (CID 43169013) is 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol is Nc1cc(CN2CCC(O)CC2)ccc1Cl.
What is the InChIKey of 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol?
The InChIKey is FUBYRTGCDIWVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-2-1-9(7-12(11)14)8-15-5-3-10(16)4-6-15/h1-2,7,10,16H,3-6,8,14H2.
What are the key properties of 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol?
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol has a molecular weight of 240.73 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 43169013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).