1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine

C18H32N2 — CID 2881401

IUPAC1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESC1=CCC(CN2CCN(C3CCCCCC3)CC2)CC1
InChIInChI=1S/C18H32N2/c1-2-7-11-18(10-6-1)20-14-12-19(13-15-20)16-17-8-4-3-5-9-17/h3-4,17-18H,1-2,5-16H2
InChIKeyKUIDKYKLCWSCLF-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.68
Rot. Bonds3

About 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine

1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine (PubChem CID 2881401) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine
PubChem CID2881401
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine
SMILESC1=CCC(CN2CCN(C3CCCCCC3)CC2)CC1
InChIInChI=1S/C18H32N2/c1-2-7-11-18(10-6-1)20-14-12-19(13-15-20)16-17-8-4-3-5-9-17/h3-4,17-18H,1-2,5-16H2
InChIKeyKUIDKYKLCWSCLF-UHFFFAOYSA-N
XLogP3.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The IUPAC name of 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine (CID 2881401) is 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine.
What is the SMILES notation for 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The canonical SMILES for 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine is C1=CCC(CN2CCN(C3CCCCCC3)CC2)CC1.
What is the InChIKey of 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine?
The InChIKey is KUIDKYKLCWSCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-2-7-11-18(10-6-1)20-14-12-19(13-15-20)16-17-8-4-3-5-9-17/h3-4,17-18H,1-2,5-16H2.
What are the key properties of 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine?
1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine has a molecular weight of 276.47 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine is sourced from PubChem (CID 2881401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).