4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline

C15H25N3 — CID 16642839

IUPAC4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN)N2CCCCC2)cc1
InChIInChI=1S/C15H25N3/c1-17(2)14-8-6-13(7-9-14)15(12-16)18-10-4-3-5-11-18/h6-9,15H,3-5,10-12,16H2,1-2H3
InChIKeyJRZFNDSCZVTJGQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds4

About 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline

4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline (PubChem CID 16642839) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
PubChem CID16642839
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN)N2CCCCC2)cc1
InChIInChI=1S/C15H25N3/c1-17(2)14-8-6-13(7-9-14)15(12-16)18-10-4-3-5-11-18/h6-9,15H,3-5,10-12,16H2,1-2H3
InChIKeyJRZFNDSCZVTJGQ-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol
CID 82020204
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
CID 63157411
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
N,N-dimethyl-4-(2-phenyl-1-piperidin-1-ylethyl)aniline;hydrochloride
CID 54609342
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328
(2S)-2-piperidin-1-yl-2-pyridin-4-ylethanamine
CID 39254713
2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 16792257
2-(azepan-1-yl)-2-(4-cyclopropylphenyl)ethanamine
CID 79984707

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline (CID 16642839) is 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline is CN(C)c1ccc(C(CN)N2CCCCC2)cc1.
What is the InChIKey of 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline?
The InChIKey is JRZFNDSCZVTJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)14-8-6-13(7-9-14)15(12-16)18-10-4-3-5-11-18/h6-9,15H,3-5,10-12,16H2,1-2H3.
What are the key properties of 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline?
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline has a molecular weight of 247.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline is sourced from PubChem (CID 16642839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).