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

C16H26ClN3 — CID 62419647

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-3-18-12-14(2)13-19-8-10-20(11-9-19)16-7-5-4-6-15(16)17/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeyWMOGXJWFINXKLG-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.71
Rot. Bonds6

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

3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 62419647) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine
PubChem CID62419647
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-3-18-12-14(2)13-19-8-10-20(11-9-19)16-7-5-4-6-15(16)17/h4-7,14,18H,3,8-13H2,1-2H3
InChIKeyWMOGXJWFINXKLG-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
CID 60854667
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,2-dimethylpropan-1-amine
CID 62418788
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
N-ethyl-2-methyl-3-(3-phenylpyrrolidin-1-yl)propan-1-amine
CID 62412984
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 119122334
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine
CID 62574531
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
CID 62437463
3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62838032
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
CID 62574171

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine (CID 62419647) is 3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine is CCNCC(C)CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is WMOGXJWFINXKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-18-12-14(2)13-19-8-10-20(11-9-19)16-7-5-4-6-15(16)17/h4-7,14,18H,3,8-13H2,1-2H3.
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine?
3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 295.86 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62419647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).