1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine

C17H33N3 — CID 63142665

IUPAC1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine
SMILESCCCC1(CN2CCN(C3CCCC3)CC2)CCNC1
InChIInChI=1S/C17H33N3/c1-2-7-17(8-9-18-14-17)15-19-10-12-20(13-11-19)16-5-3-4-6-16/h16,18H,2-15H2,1H3
InChIKeyKXHLKLBXFCKMJC-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.33
Rot. Bonds5

About 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine

1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 63142665) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine
PubChem CID63142665
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine
SMILESCCCC1(CN2CCN(C3CCCC3)CC2)CCNC1
InChIInChI=1S/C17H33N3/c1-2-7-17(8-9-18-14-17)15-19-10-12-20(13-11-19)16-5-3-4-6-16/h16,18H,2-15H2,1H3
InChIKeyKXHLKLBXFCKMJC-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine (CID 63142665) is 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine is CCCC1(CN2CCN(C3CCCC3)CC2)CCNC1.
What is the InChIKey of 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is KXHLKLBXFCKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-7-17(8-9-18-14-17)15-19-10-12-20(13-11-19)16-5-3-4-6-16/h16,18H,2-15H2,1H3.
What are the key properties of 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine?
1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 279.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 63142665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).