N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine

C19H32N2 — CID 43720301

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)C1CCN(CC)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-9-19(18-10-7-6-8-11-18)20-16(3)17-12-14-21(5-2)15-13-17/h6-8,10-11,16-17,19-20H,4-5,9,12-15H2,1-3H3
InChIKeyRZILEEVTMBUSID-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds7

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine

N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 43720301) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID43720301
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)C1CCN(CC)CC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-4-9-19(18-10-7-6-8-11-18)20-16(3)17-12-14-21(5-2)15-13-17/h6-8,10-11,16-17,19-20H,4-5,9,12-15H2,1-3H3
InChIKeyRZILEEVTMBUSID-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine 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

1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
CID 103784139
3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43711931
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 81377394
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
N-[1-(1-ethylpiperidin-4-yl)ethyl]octan-4-amine
CID 106023059
1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine (CID 43720301) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine is CCCC(NC(C)C1CCN(CC)CC1)c1ccccc1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is RZILEEVTMBUSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-9-19(18-10-7-6-8-11-18)20-16(3)17-12-14-21(5-2)15-13-17/h6-8,10-11,16-17,19-20H,4-5,9,12-15H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43720301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).