N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine

C16H26N2O — CID 62357207

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
SMILESCOc1ccccc1CN(C)CCC1CCCNC1
InChIInChI=1S/C16H26N2O/c1-18(11-9-14-6-5-10-17-12-14)13-15-7-3-4-8-16(15)19-2/h3-4,7-8,14,17H,5-6,9-13H2,1-2H3
InChIKeyVYQWPAMXZSSZQC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine

N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine (PubChem CID 62357207) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
PubChem CID62357207
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
SMILESCOc1ccccc1CN(C)CCC1CCCNC1
InChIInChI=1S/C16H26N2O/c1-18(11-9-14-6-5-10-17-12-14)13-15-7-3-4-8-16(15)19-2/h3-4,7-8,14,17H,5-6,9-13H2,1-2H3
InChIKeyVYQWPAMXZSSZQC-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636991
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557189
2-cyclobutyl-N-methyl-N-(2-piperidin-3-ylethyl)ethanamine
CID 115211477
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine (CID 62357207) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine is COc1ccccc1CN(C)CCC1CCCNC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine?
The InChIKey is VYQWPAMXZSSZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(11-9-14-6-5-10-17-12-14)13-15-7-3-4-8-16(15)19-2/h3-4,7-8,14,17H,5-6,9-13H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine is sourced from PubChem (CID 62357207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).