4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol

C14H20ClNO2 — CID 65146901

IUPAC4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCN(C)CC1
InChIInChI=1S/C14H20ClNO2/c1-16-7-5-14(17,6-8-16)10-11-9-12(15)3-4-13(11)18-2/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyIKCYXYPMMZIWSA-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.35
Rot. Bonds3

About 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol

4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 65146901) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID65146901
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCN(C)CC1
InChIInChI=1S/C14H20ClNO2/c1-16-7-5-14(17,6-8-16)10-11-9-12(15)3-4-13(11)18-2/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyIKCYXYPMMZIWSA-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 55140625
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
1-ethyl-4-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 62161513
4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol
CID 65148883
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol
CID 80562940
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 65153588
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol (CID 65146901) is 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol is COc1ccc(Cl)cc1CC1(O)CCN(C)CC1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is IKCYXYPMMZIWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16-7-5-14(17,6-8-16)10-11-9-12(15)3-4-13(11)18-2/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol?
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 269.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 65146901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).