2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine

C16H26N2O — CID 103464163

IUPAC2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
SMILESCOCC(NCC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-18-10-8-14(9-11-18)12-17-16(13-19-2)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3
InChIKeyPNZGEWKCIPEGNL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds6

About 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine

2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine (PubChem CID 103464163) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
PubChem CID103464163
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
SMILESCOCC(NCC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-18-10-8-14(9-11-18)12-17-16(13-19-2)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3
InChIKeyPNZGEWKCIPEGNL-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine
CID 103464090
(1S)-N-[(1-methylpiperidin-4-yl)methyl]-2-methylsulfanyl-1-phenylethanamine
CID 99615093
3-[(1-methylpiperidin-4-yl)methylamino]-3-phenylpropanenitrile
CID 55117440
N-(2-methoxy-1-phenylethyl)-1-methylpyrrolidin-3-amine
CID 103902264
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013
3-[(1-methylpyrrolidin-3-yl)methylamino]-3-phenylpropanenitrile
CID 55117722
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxy-1-phenylethanamine
CID 103913578
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
N-(2-methoxy-1-phenylethyl)cyclopentanamine
CID 84596036

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine?
The IUPAC name of 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine (CID 103464163) is 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine is COCC(NCC1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine?
The InChIKey is PNZGEWKCIPEGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18-10-8-14(9-11-18)12-17-16(13-19-2)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine?
2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 103464163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).