1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine

C16H30N2 — CID 796138

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C16H30N2/c1-3-16(4-2)18-12-10-17(11-13-18)14-15-8-6-5-7-9-15/h5-6,15-16H,3-4,7-14H2,1-2H3/t15-/m0/s1
InChIKeyKXVAWPOEPANUKU-HNNXBMFYSA-N
MW250.43 g/mol
LogP3.15
Rot. Bonds5

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine (PubChem CID 796138) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine
PubChem CID796138
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine
SMILESCCC(CC)N1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C16H30N2/c1-3-16(4-2)18-12-10-17(11-13-18)14-15-8-6-5-7-9-15/h5-6,15-16H,3-4,7-14H2,1-2H3/t15-/m0/s1
InChIKeyKXVAWPOEPANUKU-HNNXBMFYSA-N
XLogP3.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.15
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-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine (CID 796138) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine is CCC(CC)N1CCN(C[C@H]2CC=CCC2)CC1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine?
The InChIKey is KXVAWPOEPANUKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-16(4-2)18-12-10-17(11-13-18)14-15-8-6-5-7-9-15/h5-6,15-16H,3-4,7-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-pentan-3-ylpiperazine is sourced from PubChem (CID 796138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).