5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine

C15H29ClN2 — CID 106440439

IUPAC5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(CC(C)=CCl)C(C(C)C)CN1
InChIInChI=1S/C15H29ClN2/c1-6-13(5)14-10-18(9-12(4)7-16)15(8-17-14)11(2)3/h7,11,13-15,17H,6,8-10H2,1-5H3
InChIKeyFXBKBFILEGLTIH-UHFFFAOYSA-N
MW272.86 g/mol
LogP3.47
Rot. Bonds5

About 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine

5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine (PubChem CID 106440439) has the molecular formula C15H29ClN2 and a molecular weight of 272.86 g/mol. Its IUPAC name is 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine
PubChem CID106440439
Molecular FormulaC15H29ClN2
Molecular Weight272.86 g/mol
Exact Mass272.20
IUPAC Name5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine
SMILESCCC(C)C1CN(CC(C)=CCl)C(C(C)C)CN1
InChIInChI=1S/C15H29ClN2/c1-6-13(5)14-10-18(9-12(4)7-16)15(8-17-14)11(2)3/h7,11,13-15,17H,6,8-10H2,1-5H3
InChIKeyFXBKBFILEGLTIH-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-7-methyl-1,4-diazepane
CID 106440584
2-[(2S,5S,8S,11S)-2,5,8,11-tetrakis[(2R)-butan-2-yl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 152549918
5-butan-2-yl-1-(2-methyl-3-methylsulfanylpropyl)-2-propan-2-ylpiperazine
CID 64937634
5-butan-2-yl-1-(2-ethylhexyl)-2-propan-2-ylpiperazine
CID 64849197
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylpiperazine
CID 106440446
1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 114188941
5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
CID 115943623
5-butan-2-yl-1-(2-methyl-2-methylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 79558802
2-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-5-cyclopropyl-5-methylpiperazine
CID 106440507

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine (CID 106440439) is 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine is CCC(C)C1CN(CC(C)=CCl)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine?
The InChIKey is FXBKBFILEGLTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClN2/c1-6-13(5)14-10-18(9-12(4)7-16)15(8-17-14)11(2)3/h7,11,13-15,17H,6,8-10H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine?
5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine has a molecular weight of 272.86 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 106440439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).