1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine

C13H23N3 — CID 18712915

IUPAC1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine
SMILESCc1cn(CCCC2CCN(C)CC2)cn1
InChIInChI=1S/C13H23N3/c1-12-10-16(11-14-12)7-3-4-13-5-8-15(2)9-6-13/h10-11,13H,3-9H2,1-2H3
InChIKeyAXIGCHQFTPFMHY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.31
Rot. Bonds4

About 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine

1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine (PubChem CID 18712915) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine
PubChem CID18712915
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine
SMILESCc1cn(CCCC2CCN(C)CC2)cn1
InChIInChI=1S/C13H23N3/c1-12-10-16(11-14-12)7-3-4-13-5-8-15(2)9-6-13/h10-11,13H,3-9H2,1-2H3
InChIKeyAXIGCHQFTPFMHY-UHFFFAOYSA-N
XLogP2.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine?
The IUPAC name of 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine (CID 18712915) is 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine.
What is the SMILES notation for 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine?
The canonical SMILES for 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine is Cc1cn(CCCC2CCN(C)CC2)cn1.
What is the InChIKey of 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine?
The InChIKey is AXIGCHQFTPFMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12-10-16(11-14-12)7-3-4-13-5-8-15(2)9-6-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine?
1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine is sourced from PubChem (CID 18712915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).