1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine

C18H28N2 — CID 43747046

IUPAC1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
SMILESCCc1ccc(C(C)NC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-3-15-4-6-16(7-5-15)14(2)19-17-10-12-20(13-11-17)18-8-9-18/h4-7,14,17-19H,3,8-13H2,1-2H3
InChIKeyITXRKWPZZJWPIS-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.53
Rot. Bonds5

About 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine

1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine (PubChem CID 43747046) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
PubChem CID43747046
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
SMILESCCc1ccc(C(C)NC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-3-15-4-6-16(7-5-15)14(2)19-17-10-12-20(13-11-17)18-8-9-18/h4-7,14,17-19H,3,8-13H2,1-2H3
InChIKeyITXRKWPZZJWPIS-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[1-(4-iodophenyl)ethyl]piperidin-4-amine
CID 43791309
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43747068
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379352
(3R)-N-[(1S)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379351
N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316
1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745968
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
N-[1-(4-ethylphenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43223742

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine (CID 43747046) is 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine is CCc1ccc(C(C)NC2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine?
The InChIKey is ITXRKWPZZJWPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-15-4-6-16(7-5-15)14(2)19-17-10-12-20(13-11-17)18-8-9-18/h4-7,14,17-19H,3,8-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine?
1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43747046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).