1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine

C15H26N2 — CID 782801

IUPAC1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
SMILESC=C(C)[C@H]1CC=C(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H26N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17/h4,15H,1,5-12H2,2-3H3/t15-/m0/s1
InChIKeyXSAHZPXCUZAEIA-HNNXBMFYSA-N
MW234.39 g/mol
LogP2.54
Rot. Bonds3

About 1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine

1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine (PubChem CID 782801) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
PubChem CID782801
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
SMILESC=C(C)[C@H]1CC=C(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H26N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17/h4,15H,1,5-12H2,2-3H3/t15-/m0/s1
InChIKeyXSAHZPXCUZAEIA-HNNXBMFYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.54
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-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine (CID 782801) is 1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine is C=C(C)[C@H]1CC=C(CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine?
The InChIKey is XSAHZPXCUZAEIA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17/h4,15H,1,5-12H2,2-3H3/t15-/m0/s1.
What are the key properties of 1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine?
1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine has a molecular weight of 234.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine is sourced from PubChem (CID 782801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).