1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide

C15H23N3O — CID 69105973

IUPAC1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-17(2)15(19)13-7-9-18(10-8-13)11-12-3-5-14(16)6-4-12/h3-6,13H,7-11,16H2,1-2H3
InChIKeyYUUPZSLGBBTCMP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.57
Rot. Bonds3

About 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide

1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 69105973) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID69105973
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-17(2)15(19)13-7-9-18(10-8-13)11-12-3-5-14(16)6-4-12/h3-6,13H,7-11,16H2,1-2H3
InChIKeyYUUPZSLGBBTCMP-UHFFFAOYSA-N
XLogP1.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 67217657
1-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 129168549
4-[(4-fluoropiperidin-1-yl)methyl]aniline
CID 68980822
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174445442
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
tert-butyl N-[[4-[[(3S)-3-(dimethylcarbamoyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate
CID 124565876
(4-aminophenyl)-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]piperidin-4-yl]methanone
CID 86670979
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide (CID 69105973) is 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(Cc2ccc(N)cc2)CC1.
What is the InChIKey of 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is YUUPZSLGBBTCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)15(19)13-7-9-18(10-8-13)11-12-3-5-14(16)6-4-12/h3-6,13H,7-11,16H2,1-2H3.
What are the key properties of 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 69105973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).