1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine

C17H27ClN4 — CID 129365376

IUPAC1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
SMILESCN1CCN([C@H](CN2CCNCC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN4/c1-20-9-11-22(12-10-20)17(14-21-7-5-19-6-8-21)15-3-2-4-16(18)13-15/h2-4,13,17,19H,5-12,14H2,1H3/t17-/m1/s1
InChIKeyLXFOXNLPQMKKIF-QGZVFWFLSA-N
MW322.88 g/mol
LogP1.53
Rot. Bonds4

About 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine

1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine (PubChem CID 129365376) has the molecular formula C17H27ClN4 and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
PubChem CID129365376
Molecular FormulaC17H27ClN4
Molecular Weight322.88 g/mol
Exact Mass322.19
IUPAC Name1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
SMILESCN1CCN([C@H](CN2CCNCC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H27ClN4/c1-20-9-11-22(12-10-20)17(14-21-7-5-19-6-8-21)15-3-2-4-16(18)13-15/h2-4,13,17,19H,5-12,14H2,1H3/t17-/m1/s1
InChIKeyLXFOXNLPQMKKIF-QGZVFWFLSA-N
XLogP1.53
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 58786565
1-[(1R)-1-(3-chlorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286241
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
2-(3-chlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 82511750
2-(3-chlorophenyl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 83977802
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 112539500
1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
CID 83977826
4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 83977807
2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 117243308
1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine
CID 129382633

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine?
The IUPAC name of 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine (CID 129365376) is 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine is CN1CCN([C@H](CN2CCNCC2)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine?
The InChIKey is LXFOXNLPQMKKIF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27ClN4/c1-20-9-11-22(12-10-20)17(14-21-7-5-19-6-8-21)15-3-2-4-16(18)13-15/h2-4,13,17,19H,5-12,14H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine?
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine has a molecular weight of 322.88 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine is sourced from PubChem (CID 129365376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).