N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine

C17H26ClN3 — CID 62574147

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine
SMILESCC(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
InChIInChI=1S/C17H26ClN3/c1-14(15-2-3-15)19-8-9-20-10-12-21(13-11-20)17-6-4-16(18)5-7-17/h4-7,14-15,19H,2-3,8-13H2,1H3
InChIKeyBAHRDSOZSMNUBL-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.85
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine (PubChem CID 62574147) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine
PubChem CID62574147
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine
SMILESCC(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1
InChIInChI=1S/C17H26ClN3/c1-14(15-2-3-15)19-8-9-20-10-12-21(13-11-20)17-6-4-16(18)5-7-17/h4-7,14-15,19H,2-3,8-13H2,1H3
InChIKeyBAHRDSOZSMNUBL-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine
CID 62573775
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60849420
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]prop-2-yn-1-amine
CID 62574146
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine
CID 55090114
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine
CID 55085155

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine (CID 62574147) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine is CC(NCCN1CCN(c2ccc(Cl)cc2)CC1)C1CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine?
The InChIKey is BAHRDSOZSMNUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-14(15-2-3-15)19-8-9-20-10-12-21(13-11-20)17-6-4-16(18)5-7-17/h4-7,14-15,19H,2-3,8-13H2,1H3.
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine has a molecular weight of 307.87 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 62574147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).