N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine

C13H20ClN3 — CID 83009968

IUPACN-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine
SMILESCC(NN1CCN(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3/c1-11(12-3-5-13(14)6-4-12)15-17-9-7-16(2)8-10-17/h3-6,11,15H,7-10H2,1-2H3
InChIKeyMUFDOWARUQFFPC-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.15
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine

N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine (PubChem CID 83009968) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine
PubChem CID83009968
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine
SMILESCC(NN1CCN(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3/c1-11(12-3-5-13(14)6-4-12)15-17-9-7-16(2)8-10-17/h3-6,11,15H,7-10H2,1-2H3
InChIKeyMUFDOWARUQFFPC-UHFFFAOYSA-N
XLogP2.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83069233
4-[1-[(4-methylpiperazin-1-yl)amino]ethyl]benzonitrile
CID 83009779
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009089
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
CID 3065514
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
N-[1-(2,4-difluorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83008977
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine
CID 83010256
1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea
CID 3626403
N-[1-(3-chlorophenyl)propyl]-4-methylpiperazin-1-amine
CID 83009566
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine
CID 43234109
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine (CID 83009968) is N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine is CC(NN1CCN(C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine?
The InChIKey is MUFDOWARUQFFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-11(12-3-5-13(14)6-4-12)15-17-9-7-16(2)8-10-17/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine?
N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine has a molecular weight of 253.78 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).