1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine

C16H26N2O — CID 63854479

IUPAC1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(17-2)15-8-10-18(11-9-15)12-14-4-6-16(19-3)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyCAQPQHPYJSVNHK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds5

About 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine

1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine (PubChem CID 63854479) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
PubChem CID63854479
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(17-2)15-8-10-18(11-9-15)12-14-4-6-16(19-3)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyCAQPQHPYJSVNHK-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983377
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
4-[(4-fluoropiperidin-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]aniline
CID 170160185
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854996
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylidene]hydroxylamine
CID 174370843
2-(ethylamino)-3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 83983395
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
N,3-diethyl-1-[(4-methoxyphenyl)methyl]piperidin-4-amine
CID 114507320
4-propan-2-yl-1-[[4-(propan-2-yloxymethoxy)phenyl]methyl]piperidine
CID 171431363

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine (CID 63854479) is 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine is CNC(C)C1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The InChIKey is CAQPQHPYJSVNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17-2)15-8-10-18(11-9-15)12-14-4-6-16(19-3)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 63854479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).