1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine

C12H20N2 — CID 24973996

IUPAC1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine
SMILESCN1CCC(Cc2cccn2C)CC1
InChIInChI=1S/C12H20N2/c1-13-8-5-11(6-9-13)10-12-4-3-7-14(12)2/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyPDABQLIQJAZYEY-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.91
Rot. Bonds2

About 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine

1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine (PubChem CID 24973996) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine
PubChem CID24973996
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine
SMILESCN1CCC(Cc2cccn2C)CC1
InChIInChI=1S/C12H20N2/c1-13-8-5-11(6-9-13)10-12-4-3-7-14(12)2/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyPDABQLIQJAZYEY-UHFFFAOYSA-N
XLogP1.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-methylazepane
CID 123177845
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
8-methyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117136212
1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66444599
1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole
CID 23396939
[1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine
CID 82503676
N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine
CID 155200692
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 97028218

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine?
The IUPAC name of 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine (CID 24973996) is 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine?
The canonical SMILES for 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine is CN1CCC(Cc2cccn2C)CC1.
What is the InChIKey of 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine?
The InChIKey is PDABQLIQJAZYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-13-8-5-11(6-9-13)10-12-4-3-7-14(12)2/h3-4,7,11H,5-6,8-10H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine?
1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine has a molecular weight of 192.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylpyrrol-2-yl)methyl]piperidine is sourced from PubChem (CID 24973996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).