3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine

C18H29N3 — CID 62368084

IUPAC3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine
SMILESNCC(CN1CCN(C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H29N3/c19-14-17(16-6-2-1-3-7-16)15-20-10-12-21(13-11-20)18-8-4-5-9-18/h1-3,6-7,17-18H,4-5,8-15,19H2
InChIKeyQUJKUDCEISTKAB-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.29
Rot. Bonds5

About 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine

3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine (PubChem CID 62368084) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine
PubChem CID62368084
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine
SMILESNCC(CN1CCN(C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H29N3/c19-14-17(16-6-2-1-3-7-16)15-20-10-12-21(13-11-20)18-8-4-5-9-18/h1-3,6-7,17-18H,4-5,8-15,19H2
InChIKeyQUJKUDCEISTKAB-UHFFFAOYSA-N
XLogP2.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 93102230
1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
CID 43585763
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351
3-(2-ethylmorpholin-4-yl)-2-phenylpropan-1-amine
CID 43562330
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979
(2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 95337645
1-cyclohexyl-4-(2-methyl-1,2-diphenylpropyl)piperazine
CID 71410535
(9aR)-2-(2,2-diphenylethyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124814478
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-aminophenyl)ethanol
CID 79940161
4-(3-amino-2-phenylpropyl)-1-methyl-1,4-diazepan-2-one
CID 102888622
1-(3-amino-2-phenylpropyl)piperidin-2-one
CID 64538651

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine?
The IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine (CID 62368084) is 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine is NCC(CN1CCN(C2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine?
The InChIKey is QUJKUDCEISTKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c19-14-17(16-6-2-1-3-7-16)15-20-10-12-21(13-11-20)18-8-4-5-9-18/h1-3,6-7,17-18H,4-5,8-15,19H2.
What are the key properties of 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine?
3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine is sourced from PubChem (CID 62368084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).