N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine

C19H32N2 — CID 43714859

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NC(C)C1CCCN(CC)C1)c1ccc(C)cc1
InChIInChI=1S/C19H32N2/c1-5-19(17-11-9-15(3)10-12-17)20-16(4)18-8-7-13-21(6-2)14-18/h9-12,16,18-20H,5-8,13-14H2,1-4H3
InChIKeyFHFQBKDCIXXCQN-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds6

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine

N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 43714859) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID43714859
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NC(C)C1CCCN(CC)C1)c1ccc(C)cc1
InChIInChI=1S/C19H32N2/c1-5-19(17-11-9-15(3)10-12-17)20-16(4)18-8-7-13-21(6-2)14-18/h9-12,16,18-20H,5-8,13-14H2,1-4H3
InChIKeyFHFQBKDCIXXCQN-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685359
1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 43688616
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[1-(1-ethylpiperidin-3-yl)ethyl]hexan-3-amine
CID 62119464
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
CID 43308467
2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
CID 43307483
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine (CID 43714859) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine is CCC(NC(C)C1CCCN(CC)C1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is FHFQBKDCIXXCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-19(17-11-9-15(3)10-12-17)20-16(4)18-8-7-13-21(6-2)14-18/h9-12,16,18-20H,5-8,13-14H2,1-4H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 43714859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).