1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol

C14H20ClNO — CID 116685542

IUPAC1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCC1CCCC(CC(O)c2cccc(Cl)c2)N1
InChIInChI=1S/C14H20ClNO/c1-10-4-2-7-13(16-10)9-14(17)11-5-3-6-12(15)8-11/h3,5-6,8,10,13-14,16-17H,2,4,7,9H2,1H3
InChIKeyXMNHJKMHGOMTBK-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol

1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol (PubChem CID 116685542) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
PubChem CID116685542
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
SMILESCC1CCCC(CC(O)c2cccc(Cl)c2)N1
InChIInChI=1S/C14H20ClNO/c1-10-4-2-7-13(16-10)9-14(17)11-5-3-6-12(15)8-11/h3,5-6,8,10,13-14,16-17H,2,4,7,9H2,1H3
InChIKeyXMNHJKMHGOMTBK-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685744
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685577
2-(6-methylpiperidin-2-yl)-1-thiophen-2-ylethanol
CID 116685593
2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685748
1-(1-benzofuran-2-yl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685567
(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 138473406
(2S)-1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]piperidin-2-yl]butan-2-ol
CID 162974675
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
CID 10866594
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(3-bromophenyl)-2-(5-methylmorpholin-3-yl)ethanol
CID 116685463
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol (CID 116685542) is 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol is CC1CCCC(CC(O)c2cccc(Cl)c2)N1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
The InChIKey is XMNHJKMHGOMTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-4-2-7-13(16-10)9-14(17)11-5-3-6-12(15)8-11/h3,5-6,8,10,13-14,16-17H,2,4,7,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol?
1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol has a molecular weight of 253.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol is sourced from PubChem (CID 116685542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).