1-[4-(2-chlorophenyl)butan-2-yl]piperazine

C14H21ClN2 — CID 82044743

IUPAC1-[4-(2-chlorophenyl)butan-2-yl]piperazine
SMILESCC(CCc1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H21ClN2/c1-12(17-10-8-16-9-11-17)6-7-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3
InChIKeyGTYIELULTRSUQV-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.57
Rot. Bonds4

About 1-[4-(2-chlorophenyl)butan-2-yl]piperazine

1-[4-(2-chlorophenyl)butan-2-yl]piperazine (PubChem CID 82044743) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)butan-2-yl]piperazine
PubChem CID82044743
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[4-(2-chlorophenyl)butan-2-yl]piperazine
SMILESCC(CCc1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H21ClN2/c1-12(17-10-8-16-9-11-17)6-7-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3
InChIKeyGTYIELULTRSUQV-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluorophenyl)butan-2-yl]piperazine
CID 82044268
1-[4-(4-propylphenyl)butan-2-yl]piperazine
CID 116931952
1-[4-(4-methylsulfanylphenyl)butan-2-yl]piperazine
CID 116931963
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
1-[4-(3-ethoxyphenyl)butan-2-yl]piperazine
CID 112519407
1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine
CID 82481656
2-amino-5-(3-piperazin-1-ylbutyl)benzenethiol
CID 116998469
1-[4-(5-methylfuran-2-yl)butan-2-yl]piperazine
CID 116931969
1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
CID 82255584
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)butan-2-yl]piperazine?
The IUPAC name of 1-[4-(2-chlorophenyl)butan-2-yl]piperazine (CID 82044743) is 1-[4-(2-chlorophenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[4-(2-chlorophenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-[4-(2-chlorophenyl)butan-2-yl]piperazine is CC(CCc1ccccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)butan-2-yl]piperazine?
The InChIKey is GTYIELULTRSUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-12(17-10-8-16-9-11-17)6-7-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)butan-2-yl]piperazine?
1-[4-(2-chlorophenyl)butan-2-yl]piperazine has a molecular weight of 252.79 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)butan-2-yl]piperazine is sourced from PubChem (CID 82044743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).