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

C15H23ClN2 — CID 2878740

IUPAC1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
SMILESCCC(C)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2/c1-3-13(2)18-10-8-17(9-11-18)12-14-4-6-15(16)7-5-14/h4-7,13H,3,8-12H2,1-2H3
InChIKeyYENWJFPWRVSWLY-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.26
Rot. Bonds4

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

1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine (PubChem CID 2878740) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
PubChem CID2878740
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
SMILESCCC(C)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H23ClN2/c1-3-13(2)18-10-8-17(9-11-18)12-14-4-6-15(16)7-5-14/h4-7,13H,3,8-12H2,1-2H3
InChIKeyYENWJFPWRVSWLY-UHFFFAOYSA-N
XLogP3.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-[(3-bromo-4-fluorophenyl)methyl]-4-butan-2-ylpiperazine
CID 62772303
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
CID 62774780
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-methoxyaniline
CID 62774197
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-chloroaniline
CID 55117451
3-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-chloroaniline
CID 62774579
1-(1-benzylpiperidin-4-yl)-4-[(2R)-butan-2-yl]piperazine
CID 796148

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine (CID 2878740) is 1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine is CCC(C)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine?
The InChIKey is YENWJFPWRVSWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-13(2)18-10-8-17(9-11-18)12-14-4-6-15(16)7-5-14/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine?
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine has a molecular weight of 266.82 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 2878740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).