3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine

C16H33N3 — CID 62368612

IUPAC3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-7-15(17)16(4-2)19-12-10-18(11-13-19)14-8-5-6-9-14/h14-16H,3-13,17H2,1-2H3
InChIKeyBGZFAQYKTSWVNL-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.45
Rot. Bonds6

About 3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine

3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine (PubChem CID 62368612) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine.

Molecular Properties

Compound Name3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine
PubChem CID62368612
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-7-15(17)16(4-2)19-12-10-18(11-13-19)14-8-5-6-9-14/h14-16H,3-13,17H2,1-2H3
InChIKeyBGZFAQYKTSWVNL-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine
CID 55063596
3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine
CID 63169744
3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
CID 62778147
3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 113459495
3-(3,5-dimethylpiperidin-1-yl)heptan-4-amine
CID 43106868
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine
CID 104958469
3-(2-propylpiperidin-1-yl)heptan-4-amine
CID 83052171
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 83038989
1-(4-cyclohexylpiperazin-1-yl)butyl formate
CID 173078842
ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate
CID 55063212
(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one
CID 93371854

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine?
The IUPAC name of 3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine (CID 62368612) is 3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine.
What is the SMILES notation for 3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine?
The canonical SMILES for 3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine is CCCC(N)C(CC)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine?
The InChIKey is BGZFAQYKTSWVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-7-15(17)16(4-2)19-12-10-18(11-13-19)14-8-5-6-9-14/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine?
3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.45, 6 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)heptan-4-amine is sourced from PubChem (CID 62368612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).