(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

C16H26N2O — CID 81397127

IUPAC(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCOc1ccccc1[C@@H](C)NCC1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-13(15-6-4-5-7-16(15)19-3)17-12-14-8-10-18(2)11-9-14/h4-7,13-14,17H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyPMIRKWVRHBPXIY-CYBMUJFWSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds5

About (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 81397127) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID81397127
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCOc1ccccc1[C@@H](C)NCC1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-13(15-6-4-5-7-16(15)19-3)17-12-14-8-10-18(2)11-9-14/h4-7,13-14,17H,8-12H2,1-3H3/t13-/m1/s1
InChIKeyPMIRKWVRHBPXIY-CYBMUJFWSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
(1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 97322156
1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 75427891
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927501
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
1-(4-fluoro-3-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 82993850
(1R)-1-(furan-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81403301
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103276062
N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54804997

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 81397127) is (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is COc1ccccc1[C@@H](C)NCC1CCN(C)CC1.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is PMIRKWVRHBPXIY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(15-6-4-5-7-16(15)19-3)17-12-14-8-10-18(2)11-9-14/h4-7,13-14,17H,8-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 81397127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).