1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine

C14H20ClN3 — CID 65457035

IUPAC1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
SMILESNC1(CN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C14H20ClN3/c15-12-1-3-13(4-2-12)18-9-7-17(8-10-18)11-14(16)5-6-14/h1-4H,5-11,16H2
InChIKeyTWJQIIYUYDYTQH-UHFFFAOYSA-N
MW265.79 g/mol
LogP1.95
Rot. Bonds3

About 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine

1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine (PubChem CID 65457035) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
PubChem CID65457035
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
SMILESNC1(CN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C14H20ClN3/c15-12-1-3-13(4-2-12)18-9-7-17(8-10-18)11-14(16)5-6-14/h1-4H,5-11,16H2
InChIKeyTWJQIIYUYDYTQH-UHFFFAOYSA-N
XLogP1.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
CID 65458650
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79843810
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 115295298
1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122836
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
CID 115035883
potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide
CID 55233979
4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 60849989
1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 152771280
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine (CID 65457035) is 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine is NC1(CN2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine?
The InChIKey is TWJQIIYUYDYTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-12-1-3-13(4-2-12)18-9-7-17(8-10-18)11-14(16)5-6-14/h1-4H,5-11,16H2.
What are the key properties of 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine?
1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine has a molecular weight of 265.79 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 65457035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).