3-[1-(3-methylpiperidin-1-yl)ethyl]aniline

C14H22N2 — CID 61262194

IUPAC3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
SMILESCC1CCCN(C(C)c2cccc(N)c2)C1
InChIInChI=1S/C14H22N2/c1-11-5-4-8-16(10-11)12(2)13-6-3-7-14(15)9-13/h3,6-7,9,11-12H,4-5,8,10,15H2,1-2H3
InChIKeyQAHXOMKEOGREKF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.06
Rot. Bonds2

About 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline

3-[1-(3-methylpiperidin-1-yl)ethyl]aniline (PubChem CID 61262194) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
PubChem CID61262194
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
SMILESCC1CCCN(C(C)c2cccc(N)c2)C1
InChIInChI=1S/C14H22N2/c1-11-5-4-8-16(10-11)12(2)13-6-3-7-14(15)9-13/h3,6-7,9,11-12H,4-5,8,10,15H2,1-2H3
InChIKeyQAHXOMKEOGREKF-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline 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

3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline
CID 61263126
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
3-[1-(3,4-dimethylpiperazin-1-yl)ethyl]aniline
CID 63603446
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166588
3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
CID 61262196
1-[1-(3-aminophenyl)ethyl]pyrrolidine-3,4-diol
CID 106667852
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
3-[1-(1,4-oxazepan-4-yl)ethyl]aniline
CID 62987222
3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline
CID 63973619
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline (CID 61262194) is 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline is CC1CCCN(C(C)c2cccc(N)c2)C1.
What is the InChIKey of 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline?
The InChIKey is QAHXOMKEOGREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-5-4-8-16(10-11)12(2)13-6-3-7-14(15)9-13/h3,6-7,9,11-12H,4-5,8,10,15H2,1-2H3.
What are the key properties of 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline?
3-[1-(3-methylpiperidin-1-yl)ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 61262194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).