N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine

C17H28ClN3 — CID 62573775

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine
SMILESCCC(CC)NCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H28ClN3/c1-3-16(4-2)19-9-10-20-11-13-21(14-12-20)17-7-5-15(18)6-8-17/h5-8,16,19H,3-4,9-14H2,1-2H3
InChIKeyOXHHGTGNSCNBNJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.24
Rot. Bonds7

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine (PubChem CID 62573775) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine
PubChem CID62573775
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine
SMILESCCC(CC)NCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H28ClN3/c1-3-16(4-2)19-9-10-20-11-13-21(14-12-20)17-7-5-15(18)6-8-17/h5-8,16,19H,3-4,9-14H2,1-2H3
InChIKeyOXHHGTGNSCNBNJ-UHFFFAOYSA-N
XLogP3.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-cyclopropylethanamine
CID 62574147
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
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
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269096

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine (CID 62573775) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine is CCC(CC)NCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine?
The InChIKey is OXHHGTGNSCNBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-3-16(4-2)19-9-10-20-11-13-21(14-12-20)17-7-5-15(18)6-8-17/h5-8,16,19H,3-4,9-14H2,1-2H3.
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pentan-3-amine has a molecular weight of 309.88 g/mol, XLogP of 3.24, 7 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]pentan-3-amine is sourced from PubChem (CID 62573775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).