(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride

C15H23Cl2NO — CID 138473406

IUPAC(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
SMILESCCC[C@H]1CCC[C@H](C(O)c2cccc(Cl)c2)N1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-2-5-13-8-4-9-14(17-13)15(18)11-6-3-7-12(16)10-11;/h3,6-7,10,13-15,17-18H,2,4-5,8-9H2,1H3;1H/t13-,14+,15?;/m0./s1
InChIKeyLSMGYFVRHNSVLS-IFAKAUOZSA-N
MW304.26 g/mol
LogP4.11
Rot. Bonds4

About (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride

(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride (PubChem CID 138473406) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
PubChem CID138473406
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
SMILESCCC[C@H]1CCC[C@H](C(O)c2cccc(Cl)c2)N1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-2-5-13-8-4-9-14(17-13)15(18)11-6-3-7-12(16)10-11;/h3,6-7,10,13-15,17-18H,2,4-5,8-9H2,1H3;1H/t13-,14+,15?;/m0./s1
InChIKeyLSMGYFVRHNSVLS-IFAKAUOZSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
3-[hydroxy-[(2S,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473450
acetic acid;3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenol
CID 138473437
[3-[(R)-hydroxy-[(2R,6S)-6-propylpiperidin-2-yl]methyl]phenyl] acetate
CID 138473439
(4-fluorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 155074654
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
(R)-(4-fluorophenyl)-[(2R,6R)-6-propylpiperidin-2-yl]methanol
CID 138473465
(R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride
CID 158363901
(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 150322644
1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685542
(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
CID 155126922
(3-propylphenyl)-pyrrolidin-2-ylmethanol
CID 106640142

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride?
The IUPAC name of (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride (CID 138473406) is (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride?
The canonical SMILES for (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride is CCC[C@H]1CCC[C@H](C(O)c2cccc(Cl)c2)N1.Cl.
What is the InChIKey of (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride?
The InChIKey is LSMGYFVRHNSVLS-IFAKAUOZSA-N. The full InChI is InChI=1S/C15H22ClNO.ClH/c1-2-5-13-8-4-9-14(17-13)15(18)11-6-3-7-12(16)10-11;/h3,6-7,10,13-15,17-18H,2,4-5,8-9H2,1H3;1H/t13-,14+,15?;/m0./s1.
What are the key properties of (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride?
(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride has a molecular weight of 304.26 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 138473406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).