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

C14H22ClN3 — CID 9161461

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3/c1-14(2,11-16)18-8-6-17(7-9-18)13-5-3-4-12(15)10-13/h3-5,10H,6-9,11,16H2,1-2H3
InChIKeyTXOCCQDFSKCSSH-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.20
Rot. Bonds3

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 9161461) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID9161461
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3/c1-14(2,11-16)18-8-6-17(7-9-18)13-5-3-4-12(15)10-13/h3-5,10H,6-9,11,16H2,1-2H3
InChIKeyTXOCCQDFSKCSSH-UHFFFAOYSA-N
XLogP2.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 24693453
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 43135337
1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
CID 174396621
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
CID 79810940
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62833198
4-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanethioamide
CID 65247125
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 9161461) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine is CC(C)(CN)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is TXOCCQDFSKCSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-14(2,11-16)18-8-6-17(7-9-18)13-5-3-4-12(15)10-13/h3-5,10H,6-9,11,16H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 9161461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).