2-(3-piperidin-1-ylpropyl)aniline

C14H22N2 — CID 28721004

IUPAC2-(3-piperidin-1-ylpropyl)aniline
SMILESNc1ccccc1CCCN1CCCCC1
InChIInChI=1S/C14H22N2/c15-14-9-3-2-7-13(14)8-6-12-16-10-4-1-5-11-16/h2-3,7,9H,1,4-6,8,10-12,15H2
InChIKeyTVEZWPCYDHTJSL-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.69
Rot. Bonds4

About 2-(3-piperidin-1-ylpropyl)aniline

2-(3-piperidin-1-ylpropyl)aniline (PubChem CID 28721004) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropyl)aniline
PubChem CID28721004
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(3-piperidin-1-ylpropyl)aniline
SMILESNc1ccccc1CCCN1CCCCC1
InChIInChI=1S/C14H22N2/c15-14-9-3-2-7-13(14)8-6-12-16-10-4-1-5-11-16/h2-3,7,9H,1,4-6,8,10-12,15H2
InChIKeyTVEZWPCYDHTJSL-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 107274472
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721045
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
3-(3-piperidin-1-ylpropyl)pyridin-2-amine
CID 159183152
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
2-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]aniline;dihydrochloride
CID 22990952
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 107274590
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropyl)aniline?
The IUPAC name of 2-(3-piperidin-1-ylpropyl)aniline (CID 28721004) is 2-(3-piperidin-1-ylpropyl)aniline.
What is the SMILES notation for 2-(3-piperidin-1-ylpropyl)aniline?
The canonical SMILES for 2-(3-piperidin-1-ylpropyl)aniline is Nc1ccccc1CCCN1CCCCC1.
What is the InChIKey of 2-(3-piperidin-1-ylpropyl)aniline?
The InChIKey is TVEZWPCYDHTJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-14-9-3-2-7-13(14)8-6-12-16-10-4-1-5-11-16/h2-3,7,9H,1,4-6,8,10-12,15H2.
What are the key properties of 2-(3-piperidin-1-ylpropyl)aniline?
2-(3-piperidin-1-ylpropyl)aniline has a molecular weight of 218.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropyl)aniline is sourced from PubChem (CID 28721004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).