(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol

C14H20ClNO2 — CID 65026762

IUPAC(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol
SMILESCOc1ccc(C(O)C2CC(C)CCN2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-5-6-16-12(7-9)14(17)10-3-4-13(18-2)11(15)8-10/h3-4,8-9,12,14,16-17H,5-7H2,1-2H3
InChIKeyWSQVPCKVJDFJRN-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.77
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol

(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol (PubChem CID 65026762) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol
PubChem CID65026762
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol
SMILESCOc1ccc(C(O)C2CC(C)CCN2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-5-6-16-12(7-9)14(17)10-3-4-13(18-2)11(15)8-10/h3-4,8-9,12,14,16-17H,5-7H2,1-2H3
InChIKeyWSQVPCKVJDFJRN-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methoxyphenyl)-(3-methylcyclohexyl)methanol
CID 65026372
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392547
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]cyclohexane-1-carboxylic acid
CID 43131153
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
CID 65041826
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951150
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
(3-chloro-4-methoxyphenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 64904786
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol
CID 82081026

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol (CID 65026762) is (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol is COc1ccc(C(O)C2CC(C)CCN2)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol?
The InChIKey is WSQVPCKVJDFJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-5-6-16-12(7-9)14(17)10-3-4-13(18-2)11(15)8-10/h3-4,8-9,12,14,16-17H,5-7H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol?
(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol has a molecular weight of 269.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol is sourced from PubChem (CID 65026762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).