1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine

C16H30N2 — CID 107898076

IUPAC1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
SMILESC/C=C/CN1CC(C)(C2CC2)NCC1CC(C)C
InChIInChI=1S/C16H30N2/c1-5-6-9-18-12-16(4,14-7-8-14)17-11-15(18)10-13(2)3/h5-6,13-15,17H,7-12H2,1-4H3/b6-5+
InChIKeyQTCYNJGDPCKTFQ-AATRIKPKSA-N
MW250.43 g/mol
LogP3.05
Rot. Bonds5

About 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine

1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 107898076) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID107898076
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
SMILESC/C=C/CN1CC(C)(C2CC2)NCC1CC(C)C
InChIInChI=1S/C16H30N2/c1-5-6-9-18-12-16(4,14-7-8-14)17-11-15(18)10-13(2)3/h5-6,13-15,17H,7-12H2,1-4H3/b6-5+
InChIKeyQTCYNJGDPCKTFQ-AATRIKPKSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-1-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64876945
1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 114013955
1-cyclohexyl-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 82936865
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107056009
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64877308
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine
CID 64877133
5-cyclopropyl-2-ethyl-5-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64875764
9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 114014122
1-[(E)-but-2-enyl]-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
CID 107898082
5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine
CID 113287832
1-[(E)-but-2-enyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 107898018
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64875953

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine (CID 107898076) is 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine is C/C=C/CN1CC(C)(C2CC2)NCC1CC(C)C.
What is the InChIKey of 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is QTCYNJGDPCKTFQ-AATRIKPKSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-6-9-18-12-16(4,14-7-8-14)17-11-15(18)10-13(2)3/h5-6,13-15,17H,7-12H2,1-4H3/b6-5+.
What are the key properties of 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine?
1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 250.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 107898076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).