1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine

C16H26N2O — CID 116951367

IUPAC1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine
SMILESCCc1ccc(OC)c(C(NC)C2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-4-12-5-6-15(19-3)14(11-12)16(17-2)13-7-9-18-10-8-13/h5-6,11,13,16-18H,4,7-10H2,1-3H3
InChIKeyXBWITWRPMXQRJU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds5

About 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine

1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine (PubChem CID 116951367) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine
PubChem CID116951367
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine
SMILESCCc1ccc(OC)c(C(NC)C2CCNCC2)c1
InChIInChI=1S/C16H26N2O/c1-4-12-5-6-15(19-3)14(11-12)16(17-2)13-7-9-18-10-8-13/h5-6,11,13,16-18H,4,7-10H2,1-3H3
InChIKeyXBWITWRPMXQRJU-UHFFFAOYSA-N
XLogP2.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-methoxyphenyl)-2-piperidin-4-ylethanol
CID 116825161
1-(4-methoxy-3-methylphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951339
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951034
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
4-[1-[2-methoxy-4-(2-methylpropyl)phenoxy]ethyl]piperidine
CID 173218822
methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116857346
1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948870
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine (CID 116951367) is 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine is CCc1ccc(OC)c(C(NC)C2CCNCC2)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine?
The InChIKey is XBWITWRPMXQRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-12-5-6-15(19-3)14(11-12)16(17-2)13-7-9-18-10-8-13/h5-6,11,13,16-18H,4,7-10H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine?
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 116951367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).