1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine

C17H26ClN3 — CID 63122836

IUPAC1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine
SMILESCC1(CN2CCN(c3ccc(Cl)cc3)CC2)CCNCC1
InChIInChI=1S/C17H26ClN3/c1-17(6-8-19-9-7-17)14-20-10-12-21(13-11-20)16-4-2-15(18)3-5-16/h2-5,19H,6-14H2,1H3
InChIKeyIJMAIFLFQHNZRE-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine

1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 63122836) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine
PubChem CID63122836
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine
SMILESCC1(CN2CCN(c3ccc(Cl)cc3)CC2)CCNCC1
InChIInChI=1S/C17H26ClN3/c1-17(6-8-19-9-7-17)14-20-10-12-21(13-11-20)16-4-2-15(18)3-5-16/h2-5,19H,6-14H2,1H3
InChIKeyIJMAIFLFQHNZRE-UHFFFAOYSA-N
XLogP2.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(4-Chlorophenyl)piperazine
CID 97478
1-(2-Chlorophenyl)piperazine
CID 415628
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine
CID 3299322
N-(4-chlorophenyl)-1-ethyl-4-piperidinamine
CID 868366
N-(4-chlorophenyl)-1-methylpiperidin-4-amine
CID 867305
5-Chloro-2-(4-methyl-1-piperazinyl)benzenamine
CID 2104082
1-(4-Chlorophenyl)-4-(1-ethyl-4-piperidinyl)piperazine
CID 742550

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine (CID 63122836) is 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine is CC1(CN2CCN(c3ccc(Cl)cc3)CC2)CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is IJMAIFLFQHNZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-17(6-8-19-9-7-17)14-20-10-12-21(13-11-20)16-4-2-15(18)3-5-16/h2-5,19H,6-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine?
1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 307.87 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 63122836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).