1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine

C14H21ClN2O — CID 116951150

IUPAC1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
SMILESCNC(c1ccc(OC)c(Cl)c1)C1CCCCN1
InChIInChI=1S/C14H21ClN2O/c1-16-14(12-5-3-4-8-17-12)10-6-7-13(18-2)11(15)9-10/h6-7,9,12,14,16-17H,3-5,8H2,1-2H3
InChIKeyGBRGFHFGLNYKGP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine

1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine (PubChem CID 116951150) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
PubChem CID116951150
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
SMILESCNC(c1ccc(OC)c(Cl)c1)C1CCCCN1
InChIInChI=1S/C14H21ClN2O/c1-16-14(12-5-3-4-8-17-12)10-6-7-13(18-2)11(15)9-10/h6-7,9,12,14,16-17H,3-5,8H2,1-2H3
InChIKeyGBRGFHFGLNYKGP-UHFFFAOYSA-N
XLogP2.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951152
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950896
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950939
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131204
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
CID 80604128
N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-2-yl)methanol
CID 65026762
N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine
CID 116951196
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
N-methyl-1-(1-methylbenzimidazol-5-yl)-1-piperidin-2-ylmethanamine
CID 116951200

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine (CID 116951150) is 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine is CNC(c1ccc(OC)c(Cl)c1)C1CCCCN1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
The InChIKey is GBRGFHFGLNYKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-14(12-5-3-4-8-17-12)10-6-7-13(18-2)11(15)9-10/h6-7,9,12,14,16-17H,3-5,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine?
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 116951150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).