1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine

C19H30ClN3 — CID 83977826

IUPAC1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
SMILESCC1CCN(CC(c2cccc(Cl)c2)N2CCNC(C)C2)CC1
InChIInChI=1S/C19H30ClN3/c1-15-6-9-22(10-7-15)14-19(17-4-3-5-18(20)12-17)23-11-8-21-16(2)13-23/h3-5,12,15-16,19,21H,6-11,13-14H2,1-2H3
InChIKeyQGFDDNIOQCHUJQ-UHFFFAOYSA-N
MW335.92 g/mol
LogP3.41
Rot. Bonds4

About 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine

1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine (PubChem CID 83977826) has the molecular formula C19H30ClN3 and a molecular weight of 335.92 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
PubChem CID83977826
Molecular FormulaC19H30ClN3
Molecular Weight335.92 g/mol
Exact Mass335.21
IUPAC Name1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
SMILESCC1CCN(CC(c2cccc(Cl)c2)N2CCNC(C)C2)CC1
InChIInChI=1S/C19H30ClN3/c1-15-6-9-22(10-7-15)14-19(17-4-3-5-18(20)12-17)23-11-8-21-16(2)13-23/h3-5,12,15-16,19,21H,6-11,13-14H2,1-2H3
InChIKeyQGFDDNIOQCHUJQ-UHFFFAOYSA-N
XLogP3.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 83977807
2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
CID 83979668
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 83978195
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 129365376
1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 112539976
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178
1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
CID 83979406
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
1-[1-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978531
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine?
The IUPAC name of 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine (CID 83977826) is 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine?
The canonical SMILES for 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine is CC1CCN(CC(c2cccc(Cl)c2)N2CCNC(C)C2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine?
The InChIKey is QGFDDNIOQCHUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3/c1-15-6-9-22(10-7-15)14-19(17-4-3-5-18(20)12-17)23-11-8-21-16(2)13-23/h3-5,12,15-16,19,21H,6-11,13-14H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine?
1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine has a molecular weight of 335.92 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine is sourced from PubChem (CID 83977826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).