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

C12H21N3 — CID 22662903

IUPAC4-[3-(4-methylimidazol-1-yl)propyl]piperidine
SMILESCc1cn(CCCC2CCNCC2)cn1
InChIInChI=1S/C12H21N3/c1-11-9-15(10-14-11)8-2-3-12-4-6-13-7-5-12/h9-10,12-13H,2-8H2,1H3
InChIKeyZQWTVAWFSKDPQB-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds4

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

4-[3-(4-methylimidazol-1-yl)propyl]piperidine (PubChem CID 22662903) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[3-(4-methylimidazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(4-methylimidazol-1-yl)propyl]piperidine
PubChem CID22662903
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-[3-(4-methylimidazol-1-yl)propyl]piperidine
SMILESCc1cn(CCCC2CCNCC2)cn1
InChIInChI=1S/C12H21N3/c1-11-9-15(10-14-11)8-2-3-12-4-6-13-7-5-12/h9-10,12-13H,2-8H2,1H3
InChIKeyZQWTVAWFSKDPQB-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-tert-butylimidazol-1-yl)ethyl]piperidine
CID 82513262
bis(1-methyl-4-[3-(4-methylimidazol-1-yl)propyl]piperidine);bis(1-methyl-4-[3-(5-methylimidazol-1-yl)propyl]piperidine)
CID 161238325
4-[2-(4-methylimidazol-1-yl)ethyl]thiane 1,1-dioxide
CID 154972117
4-[3-(2,5-dimethyl-1,2-dihydroimidazol-3-yl)propyl]piperidine
CID 142002089
1-butyl-4-methylimidazole tetrafluoroborate
CID 174714624
3-[(4-methylimidazol-1-yl)methyl]azepane
CID 18712989
4-methyl-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114410854
4-[2-(2,5-dimethylimidazol-1-yl)ethyl]piperidine
CID 172909232
2,5-dimethyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 103568968
1-methyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 15057324
N,N-dimethyl-1-(piperidin-4-ylmethyl)imidazol-4-amine
CID 167103021
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylimidazol-1-yl)propyl]piperidine?
The IUPAC name of 4-[3-(4-methylimidazol-1-yl)propyl]piperidine (CID 22662903) is 4-[3-(4-methylimidazol-1-yl)propyl]piperidine.
What is the SMILES notation for 4-[3-(4-methylimidazol-1-yl)propyl]piperidine?
The canonical SMILES for 4-[3-(4-methylimidazol-1-yl)propyl]piperidine is Cc1cn(CCCC2CCNCC2)cn1.
What is the InChIKey of 4-[3-(4-methylimidazol-1-yl)propyl]piperidine?
The InChIKey is ZQWTVAWFSKDPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11-9-15(10-14-11)8-2-3-12-4-6-13-7-5-12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 4-[3-(4-methylimidazol-1-yl)propyl]piperidine?
4-[3-(4-methylimidazol-1-yl)propyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylimidazol-1-yl)propyl]piperidine is sourced from PubChem (CID 22662903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).