1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine

C19H32N2 — CID 170191171

IUPAC1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CN2CCNCC2)C[C@H]1C(=C)C
InChIInChI=1S/C19H32N2/c1-6-19(5)8-7-17(13-18(19)15(2)3)16(4)14-21-11-9-20-10-12-21/h6,17-18,20H,1-2,4,7-14H2,3,5H3/t17-,18+,19-/m1/s1
InChIKeyKAWOXEWUHKHWAG-CEXWTWQISA-N
MW288.48 g/mol
LogP3.63
Rot. Bonds5

About 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine

1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine (PubChem CID 170191171) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine
PubChem CID170191171
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CN2CCNCC2)C[C@H]1C(=C)C
InChIInChI=1S/C19H32N2/c1-6-19(5)8-7-17(13-18(19)15(2)3)16(4)14-21-11-9-20-10-12-21/h6,17-18,20H,1-2,4,7-14H2,3,5H3/t17-,18+,19-/m1/s1
InChIKeyKAWOXEWUHKHWAG-CEXWTWQISA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine?
The IUPAC name of 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine (CID 170191171) is 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine?
The canonical SMILES for 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine is C=C[C@]1(C)CC[C@@H](C(=C)CN2CCNCC2)C[C@H]1C(=C)C.
What is the InChIKey of 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine?
The InChIKey is KAWOXEWUHKHWAG-CEXWTWQISA-N. The full InChI is InChI=1S/C19H32N2/c1-6-19(5)8-7-17(13-18(19)15(2)3)16(4)14-21-11-9-20-10-12-21/h6,17-18,20H,1-2,4,7-14H2,3,5H3/t17-,18+,19-/m1/s1.
What are the key properties of 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine?
1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine has a molecular weight of 288.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]piperazine is sourced from PubChem (CID 170191171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).