1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine

C16H26ClN3 — CID 81165760

IUPAC1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
SMILESCCCN1CCN(c2ccc(CC(C)N)cc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-3-6-19-7-9-20(10-8-19)16-5-4-14(11-13(2)18)12-15(16)17/h4-5,12-13H,3,6-11,18H2,1-2H3
InChIKeyVZISHPLZZNGQML-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.76
Rot. Bonds5

About 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine

1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine (PubChem CID 81165760) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
PubChem CID81165760
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
SMILESCCCN1CCN(c2ccc(CC(C)N)cc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-3-6-19-7-9-20(10-8-19)16-5-4-14(11-13(2)18)12-15(16)17/h4-5,12-13H,3,6-11,18H2,1-2H3
InChIKeyVZISHPLZZNGQML-UHFFFAOYSA-N
XLogP2.76
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-2-amine
CID 81159332
1-[5-chloro-2-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
CID 114860414
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 62909682
3-chloro-4-(4-propylpiperazin-1-yl)benzenecarbothioamide
CID 63087443
1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 81165910
1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]propan-2-amine
CID 81166753
1-[3-chloro-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 81166004
1-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469659
1-[4-(bromomethyl)-2-chlorophenyl]-4-ethylpiperazine
CID 107079595
1-[2-chloro-4-(chloromethyl)phenyl]-4-(2-methylpropyl)piperazine
CID 81151197
1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine
CID 114860423
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chlorophenyl]propan-2-amine
CID 81165729

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine (CID 81165760) is 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine is CCCN1CCN(c2ccc(CC(C)N)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine?
The InChIKey is VZISHPLZZNGQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-6-19-7-9-20(10-8-19)16-5-4-14(11-13(2)18)12-15(16)17/h4-5,12-13H,3,6-11,18H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine?
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine has a molecular weight of 295.86 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 81165760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).