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

C14H22ClN3 — CID 43135337

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H22ClN3/c1-14(2,11-16)18-9-7-17(8-10-18)13-5-3-12(15)4-6-13/h3-6H,7-11,16H2,1-2H3
InChIKeyCVHVLEVAOMCWCM-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.20
Rot. Bonds3

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 43135337) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID43135337
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H22ClN3/c1-14(2,11-16)18-9-7-17(8-10-18)13-5-3-12(15)4-6-13/h3-6H,7-11,16H2,1-2H3
InChIKeyCVHVLEVAOMCWCM-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 43135337) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine is CC(C)(CN)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is CVHVLEVAOMCWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-14(2,11-16)18-9-7-17(8-10-18)13-5-3-12(15)4-6-13/h3-6H,7-11,16H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(4-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-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 43135337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).