1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine

C16H32N2 — CID 114014084

IUPAC1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCC(C)=CCN1CC(C(C)C)NCC1CC(C)C
InChIInChI=1S/C16H32N2/c1-12(2)7-8-18-11-16(14(5)6)17-10-15(18)9-13(3)4/h7,13-17H,8-11H2,1-6H3
InChIKeyYPNFZMDCMZKYHX-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine

1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine (PubChem CID 114014084) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
PubChem CID114014084
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
SMILESCC(C)=CCN1CC(C(C)C)NCC1CC(C)C
InChIInChI=1S/C16H32N2/c1-12(2)7-8-18-11-16(14(5)6)17-10-15(18)9-13(3)4/h7,13-17H,8-11H2,1-6H3
InChIKeyYPNFZMDCMZKYHX-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.30
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

1,2-bis(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838842
1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64840397
1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838649
N,N-dimethyl-2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxamide
CID 82245449
1-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64837878
2-(2-methylpropyl)-1-[(1-methyltriazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 107055514
1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838073
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016319
2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone
CID 82249015
1-cyclohexyl-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 79014864
(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
CID 82242691
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 104812394

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The IUPAC name of 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine (CID 114014084) is 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine is CC(C)=CCN1CC(C(C)C)NCC1CC(C)C.
What is the InChIKey of 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
The InChIKey is YPNFZMDCMZKYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)7-8-18-11-16(14(5)6)17-10-15(18)9-13(3)4/h7,13-17H,8-11H2,1-6H3.
What are the key properties of 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine?
1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 114014084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).