1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine

C16H24ClN3 — CID 79843810

IUPAC1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCN(c3ccc(Cl)cc3)CC2)CCC1
InChIInChI=1S/C16H24ClN3/c17-14-2-4-15(5-3-14)20-12-10-19(11-13-20)9-8-16(18)6-1-7-16/h2-5H,1,6-13,18H2
InChIKeyOXCHSJHEDUWXRU-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine

1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine (PubChem CID 79843810) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
PubChem CID79843810
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCN(c3ccc(Cl)cc3)CC2)CCC1
InChIInChI=1S/C16H24ClN3/c17-14-2-4-15(5-3-14)20-12-10-19(11-13-20)9-8-16(18)6-1-7-16/h2-5H,1,6-13,18H2
InChIKeyOXCHSJHEDUWXRU-UHFFFAOYSA-N
XLogP2.73
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
CID 65457035
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-(4-chlorophenyl)piperazine
CID 21048744
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68813544
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 118727897
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]prop-2-yn-1-amine
CID 62574146
3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine
CID 82346723

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine (CID 79843810) is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine is NC1(CCN2CCN(c3ccc(Cl)cc3)CC2)CCC1.
What is the InChIKey of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
The InChIKey is OXCHSJHEDUWXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-14-2-4-15(5-3-14)20-12-10-19(11-13-20)9-8-16(18)6-1-7-16/h2-5H,1,6-13,18H2.
What are the key properties of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine?
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79843810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).