3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine

C17H28ClN3 — CID 62622896

IUPAC3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
SMILESCC(C)(C)N1CCN(CCC(N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H28ClN3/c1-17(2,3)21-11-9-20(10-12-21)8-7-16(19)14-5-4-6-15(18)13-14/h4-6,13,16H,7-12,19H2,1-3H3
InChIKeyAGLAPBRRFBBHGT-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.15
Rot. Bonds4

About 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine

3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine (PubChem CID 62622896) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
PubChem CID62622896
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
SMILESCC(C)(C)N1CCN(CCC(N)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H28ClN3/c1-17(2,3)21-11-9-20(10-12-21)8-7-16(19)14-5-4-6-15(18)13-14/h4-6,13,16H,7-12,19H2,1-3H3
InChIKeyAGLAPBRRFBBHGT-UHFFFAOYSA-N
XLogP3.15
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81115610
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112629124
1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
3-(4-tert-butylpiperazin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62625581
1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
CID 62625582
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630281
(1S)-1-(3-chlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219117

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine (CID 62622896) is 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine is CC(C)(C)N1CCN(CCC(N)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine?
The InChIKey is AGLAPBRRFBBHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-17(2,3)21-11-9-20(10-12-21)8-7-16(19)14-5-4-6-15(18)13-14/h4-6,13,16H,7-12,19H2,1-3H3.
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine?
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 62622896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).