2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol

C15H22ClNO2 — CID 129404174

IUPAC2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol
SMILESOCC(CO)[C@H](c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H22ClNO2/c16-14-6-4-12(5-7-14)15(13(10-18)11-19)17-8-2-1-3-9-17/h4-7,13,15,18-19H,1-3,8-11H2/t15-/m0/s1
InChIKeyAURFMXOHIVVRBI-HNNXBMFYSA-N
MW283.80 g/mol
LogP2.47
Rot. Bonds5

About 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol

2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol (PubChem CID 129404174) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol
PubChem CID129404174
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol
SMILESOCC(CO)[C@H](c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C15H22ClNO2/c16-14-6-4-12(5-7-14)15(13(10-18)11-19)17-8-2-1-3-9-17/h4-7,13,15,18-19H,1-3,8-11H2/t15-/m0/s1
InChIKeyAURFMXOHIVVRBI-HNNXBMFYSA-N
XLogP2.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine
CID 134994709
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenylethanol
CID 4019753
3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83924566
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine
CID 150848803
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815
2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
CID 116860133
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol
CID 53356260
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211
1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
CID 3057474
1-[2-amino-1-(4-chlorophenyl)butyl]-4-methylazepan-4-ol
CID 107403919

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol?
The IUPAC name of 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol (CID 129404174) is 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol.
What is the SMILES notation for 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol?
The canonical SMILES for 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol is OCC(CO)[C@H](c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol?
The InChIKey is AURFMXOHIVVRBI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-14-6-4-12(5-7-14)15(13(10-18)11-19)17-8-2-1-3-9-17/h4-7,13,15,18-19H,1-3,8-11H2/t15-/m0/s1.
What are the key properties of 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol?
2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol has a molecular weight of 283.80 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol is sourced from PubChem (CID 129404174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).