4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine

C20H32N2 — CID 53443850

IUPAC4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
SMILESCC1CCN(Cc2ccc(CN3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C20H32N2/c1-17-7-11-21(12-8-17)15-19-3-5-20(6-4-19)16-22-13-9-18(2)10-14-22/h3-6,17-18H,7-16H2,1-2H3
InChIKeyQRAGZFGSNJDFME-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.15
Rot. Bonds4

About 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine

4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine (PubChem CID 53443850) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
PubChem CID53443850
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
SMILESCC1CCN(Cc2ccc(CN3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C20H32N2/c1-17-7-11-21(12-8-17)15-19-3-5-20(6-4-19)16-22-13-9-18(2)10-14-22/h3-6,17-18H,7-16H2,1-2H3
InChIKeyQRAGZFGSNJDFME-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
1-[(4-ethenylphenyl)methyl]-4-methylpiperidine
CID 89299852
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345602
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
2-bromo-5-[(4-methylpiperidin-1-yl)methyl]aniline
CID 115556945
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 807342
[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970710

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine?
The IUPAC name of 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine (CID 53443850) is 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine?
The canonical SMILES for 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine is CC1CCN(Cc2ccc(CN3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine?
The InChIKey is QRAGZFGSNJDFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-17-7-11-21(12-8-17)15-19-3-5-20(6-4-19)16-22-13-9-18(2)10-14-22/h3-6,17-18H,7-16H2,1-2H3.
What are the key properties of 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine?
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine has a molecular weight of 300.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine is sourced from PubChem (CID 53443850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).