7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine

C19H32ClN3 — CID 144829981

IUPAC7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine
SMILESCc1cccc(N2CCN(CCC(C)CCC(C)N)CC2)c1Cl
InChIInChI=1S/C19H32ClN3/c1-15(7-8-17(3)21)9-10-22-11-13-23(14-12-22)18-6-4-5-16(2)19(18)20/h4-6,15,17H,7-14,21H2,1-3H3
InChIKeyPRQLPICNSIXZPK-UHFFFAOYSA-N
MW337.94 g/mol
LogP3.92
Rot. Bonds7

About 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine

7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine (PubChem CID 144829981) has the molecular formula C19H32ClN3 and a molecular weight of 337.94 g/mol. Its IUPAC name is 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine.

Molecular Properties

Compound Name7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine
PubChem CID144829981
Molecular FormulaC19H32ClN3
Molecular Weight337.94 g/mol
Exact Mass337.23
IUPAC Name7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine
SMILESCc1cccc(N2CCN(CCC(C)CCC(C)N)CC2)c1Cl
InChIInChI=1S/C19H32ClN3/c1-15(7-8-17(3)21)9-10-22-11-13-23(14-12-22)18-6-4-5-16(2)19(18)20/h4-6,15,17H,7-14,21H2,1-3H3
InChIKeyPRQLPICNSIXZPK-UHFFFAOYSA-N
XLogP3.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.94
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 63028279
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylbutan-1-amine
CID 81084496
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylpentan-1-amine
CID 104681822
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
CID 55135743
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine?
The IUPAC name of 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine (CID 144829981) is 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine.
What is the SMILES notation for 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine?
The canonical SMILES for 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine is Cc1cccc(N2CCN(CCC(C)CCC(C)N)CC2)c1Cl.
What is the InChIKey of 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine?
The InChIKey is PRQLPICNSIXZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN3/c1-15(7-8-17(3)21)9-10-22-11-13-23(14-12-22)18-6-4-5-16(2)19(18)20/h4-6,15,17H,7-14,21H2,1-3H3.
What are the key properties of 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine?
7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine has a molecular weight of 337.94 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine is sourced from PubChem (CID 144829981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).