N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine

C18H30ClN3 — CID 82201682

IUPACN-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)C(CN1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClN3/c1-3-5-12-22(4-2)18(15-21-13-10-20-11-14-21)16-6-8-17(19)9-7-16/h6-9,18,20H,3-5,10-15H2,1-2H3
InChIKeyUWVVBHPTTOHUFP-UHFFFAOYSA-N
MW323.91 g/mol
LogP3.41
Rot. Bonds8

About N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine

N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine (PubChem CID 82201682) has the molecular formula C18H30ClN3 and a molecular weight of 323.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine
PubChem CID82201682
Molecular FormulaC18H30ClN3
Molecular Weight323.91 g/mol
Exact Mass323.21
IUPAC NameN-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)C(CN1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClN3/c1-3-5-12-22(4-2)18(15-21-13-10-20-11-14-21)16-6-8-17(19)9-7-16/h6-9,18,20H,3-5,10-15H2,1-2H3
InChIKeyUWVVBHPTTOHUFP-UHFFFAOYSA-N
XLogP3.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 82201862
2-[butyl(ethyl)amino]-2-(4-chlorophenyl)acetonitrile
CID 84756999
N,N-diethyl-2-piperazin-1-yl-1-pyridin-3-ylethanamine
CID 82201783
2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol
CID 82201748
4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline
CID 82201882
N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine
CID 82201727
1-[(2R)-2-(4-chlorophenoxy)propyl]piperazine
CID 96925921
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine
CID 174488177
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
1-(4-chlorophenyl)-N,N-diethyl-N'-octylethane-1,2-diamine
CID 110827055
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine (CID 82201682) is N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine is CCCCN(CC)C(CN1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine?
The InChIKey is UWVVBHPTTOHUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN3/c1-3-5-12-22(4-2)18(15-21-13-10-20-11-14-21)16-6-8-17(19)9-7-16/h6-9,18,20H,3-5,10-15H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine?
N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine has a molecular weight of 323.91 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 82201682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).