N-(2-piperidin-3-ylethyl)-4-propylaniline

C16H26N2 — CID 115211247

IUPACN-(2-piperidin-3-ylethyl)-4-propylaniline
SMILESCCCc1ccc(NCCC2CCCNC2)cc1
InChIInChI=1S/C16H26N2/c1-2-4-14-6-8-16(9-7-14)18-12-10-15-5-3-11-17-13-15/h6-9,15,17-18H,2-5,10-13H2,1H3
InChIKeyKWOVLOQSQISDDO-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.44
Rot. Bonds6

About N-(2-piperidin-3-ylethyl)-4-propylaniline

N-(2-piperidin-3-ylethyl)-4-propylaniline (PubChem CID 115211247) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-4-propylaniline.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-4-propylaniline
PubChem CID115211247
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2-piperidin-3-ylethyl)-4-propylaniline
SMILESCCCc1ccc(NCCC2CCCNC2)cc1
InChIInChI=1S/C16H26N2/c1-2-4-14-6-8-16(9-7-14)18-12-10-15-5-3-11-17-13-15/h6-9,15,17-18H,2-5,10-13H2,1H3
InChIKeyKWOVLOQSQISDDO-UHFFFAOYSA-N
XLogP3.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
CID 115211361
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
CID 63629751
N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210731
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
CID 115211260
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-4-propylaniline?
The IUPAC name of N-(2-piperidin-3-ylethyl)-4-propylaniline (CID 115211247) is N-(2-piperidin-3-ylethyl)-4-propylaniline.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-4-propylaniline?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-4-propylaniline is CCCc1ccc(NCCC2CCCNC2)cc1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-4-propylaniline?
The InChIKey is KWOVLOQSQISDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-4-14-6-8-16(9-7-14)18-12-10-15-5-3-11-17-13-15/h6-9,15,17-18H,2-5,10-13H2,1H3.
What are the key properties of N-(2-piperidin-3-ylethyl)-4-propylaniline?
N-(2-piperidin-3-ylethyl)-4-propylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-4-propylaniline is sourced from PubChem (CID 115211247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).