1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine

C18H29N3 — CID 170994872

IUPAC1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(C)CC2)c(C2CCNCC2)c1
InChIInChI=1S/C18H29N3/c1-15-3-4-17(14-21-11-9-20(2)10-12-21)18(13-15)16-5-7-19-8-6-16/h3-4,13,16,19H,5-12,14H2,1-2H3
InChIKeyDDARFYAOEJGSBT-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.21
Rot. Bonds3

About 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine

1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine (PubChem CID 170994872) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine
PubChem CID170994872
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(C)CC2)c(C2CCNCC2)c1
InChIInChI=1S/C18H29N3/c1-15-3-4-17(14-21-11-9-20(2)10-12-21)18(13-15)16-5-7-19-8-6-16/h3-4,13,16,19H,5-12,14H2,1-2H3
InChIKeyDDARFYAOEJGSBT-UHFFFAOYSA-N
XLogP2.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-methyl-2-(pyrrolidin-1-ylmethyl)phenyl]piperidine;dihydrochloride
CID 170994863
4,4-difluoro-1-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperidine;dihydrochloride
CID 170994889
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
CID 121478180
4-[4-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]phenyl]piperidine
CID 155201567
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
N,N-dimethyl-1-(5-methyl-2-piperidin-4-ylphenyl)methanamine;ethane
CID 166120310
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
4-(4-methyl-2-prop-2-enylphenyl)piperidine
CID 155201541
1-[(4-piperidin-4-ylnaphthalen-1-yl)methyl]piperidine;dihydrochloride
CID 130367096
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine (CID 170994872) is 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine is Cc1ccc(CN2CCN(C)CC2)c(C2CCNCC2)c1.
What is the InChIKey of 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine?
The InChIKey is DDARFYAOEJGSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-3-4-17(14-21-11-9-20(2)10-12-21)18(13-15)16-5-7-19-8-6-16/h3-4,13,16,19H,5-12,14H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine?
1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine is sourced from PubChem (CID 170994872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).