N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine

C17H26ClN3 — CID 62419457

IUPACN-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClN3/c1-2-15(13-19-14-7-8-14)20-9-11-21(12-10-20)17-6-4-3-5-16(17)18/h3-6,14-15,19H,2,7-13H2,1H3
InChIKeyGFAPWSUGGACADK-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.99
Rot. Bonds6

About N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine (PubChem CID 62419457) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine
PubChem CID62419457
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H26ClN3/c1-2-15(13-19-14-7-8-14)20-9-11-21(12-10-20)17-6-4-3-5-16(17)18/h3-6,14-15,19H,2,7-13H2,1H3
InChIKeyGFAPWSUGGACADK-UHFFFAOYSA-N
XLogP2.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azocan-1-yl)butyl]cyclopropanamine
CID 62419227
N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62778203
N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
CID 83054427
N-[2-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
CID 79219858
N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine
CID 62430618
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 62423101
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
CID 60854667
3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine
CID 62419647
2-[4-(2-chlorophenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-amine
CID 43752689

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine?
The IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine (CID 62419457) is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine is CCC(CNC1CC1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine?
The InChIKey is GFAPWSUGGACADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-2-15(13-19-14-7-8-14)20-9-11-21(12-10-20)17-6-4-3-5-16(17)18/h3-6,14-15,19H,2,7-13H2,1H3.
What are the key properties of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine?
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine has a molecular weight of 307.87 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine is sourced from PubChem (CID 62419457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).