1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine

C17H29N3 — CID 66655869

IUPAC1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine
SMILESC1=C(N2CCCC2)CCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H29N3/c1-2-10-18(9-1)15-3-5-16(6-4-15)19-11-13-20(14-12-19)17-7-8-17/h3,16-17H,1-2,4-14H2
InChIKeyBNVZYBKSWLPAEO-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.30
Rot. Bonds3

About 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine

1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine (PubChem CID 66655869) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine
PubChem CID66655869
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine
SMILESC1=C(N2CCCC2)CCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H29N3/c1-2-10-18(9-1)15-3-5-16(6-4-15)19-11-13-20(14-12-19)17-7-8-17/h3,16-17H,1-2,4-14H2
InChIKeyBNVZYBKSWLPAEO-UHFFFAOYSA-N
XLogP2.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine (CID 66655869) is 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine is C1=C(N2CCCC2)CCC(N2CCN(C3CC3)CC2)C1.
What is the InChIKey of 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine?
The InChIKey is BNVZYBKSWLPAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-10-18(9-1)15-3-5-16(6-4-15)19-11-13-20(14-12-19)17-7-8-17/h3,16-17H,1-2,4-14H2.
What are the key properties of 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine?
1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine has a molecular weight of 275.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine is sourced from PubChem (CID 66655869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).