N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine

C16H26N2 — CID 62560982

IUPACN-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCN(CCNCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-2-15-9-6-11-18(14-15)12-10-17-13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14H2,1H3
InChIKeyQFFPMSUZKWIPHX-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.90
Rot. Bonds6

About N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine

N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine (PubChem CID 62560982) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine
PubChem CID62560982
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCN(CCNCc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-2-15-9-6-11-18(14-15)12-10-17-13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14H2,1H3
InChIKeyQFFPMSUZKWIPHX-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[2-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62431792
N-benzyl-2-(1,4-diazepan-1-yl)ethanamine
CID 62833127
1-benzyl-3-ethylpyrrolidine
CID 12648208
N-benzyl-1-butylpiperidin-3-amine
CID 83993554

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine (CID 62560982) is N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine is CCC1CCCN(CCNCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine?
The InChIKey is QFFPMSUZKWIPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-15-9-6-11-18(14-15)12-10-17-13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,2,6,9-14H2,1H3.
What are the key properties of N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine?
N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62560982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).