3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol

C15H22ClNO — CID 11288622

IUPAC3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCO)C1
InChIInChI=1S/C15H22ClNO/c1-17-9-8-15(13(11-17)3-2-10-18)12-4-6-14(16)7-5-12/h4-7,13,15,18H,2-3,8-11H2,1H3/t13-,15+/m0/s1
InChIKeyQXYGLYJWXYAGSO-DZGCQCFKSA-N
MW267.80 g/mol
LogP3.15
Rot. Bonds4

About 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol

3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol (PubChem CID 11288622) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol
PubChem CID11288622
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCO)C1
InChIInChI=1S/C15H22ClNO/c1-17-9-8-15(13(11-17)3-2-10-18)12-4-6-14(16)7-5-12/h4-7,13,15,18H,2-3,8-11H2,1H3/t13-,15+/m0/s1
InChIKeyQXYGLYJWXYAGSO-DZGCQCFKSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pitolisant
CID 9948102
Clobutinol
CID 26937
[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 10493109
[(3R,4S)-4-(4-Chlorophenyl)-1-methylpiperidin-3-YL]methanol
CID 10657648
Acetic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester
CID 10731560
[(R)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-methanol
CID 44301837
2-(3,4-Dichlorophenyl)-2-piperidin-4-ylethanol;hydrochloride
CID 71727754
4-[1-(4-Chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
CID 73347526
(3R,4S)-3-Allyloxymethyl-4-(4-chloro-phenyl)-1-methyl-piperidine
CID 11737558
2-[4-(4-Chloro-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925764
Acetic acid (R)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester
CID 44301940
3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-propionic acid
CID 44332718

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol (CID 11288622) is 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol is CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCO)C1.
What is the InChIKey of 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol?
The InChIKey is QXYGLYJWXYAGSO-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-17-9-8-15(13(11-17)3-2-10-18)12-4-6-14(16)7-5-12/h4-7,13,15,18H,2-3,8-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol?
3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]propan-1-ol is sourced from PubChem (CID 11288622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).