4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride

C12H21Cl2N3 — CID 75485592

IUPAC4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride
SMILESCl.Cl.c1cn(CC2CC2)c(C2CCNCC2)n1
InChIInChI=1S/C12H19N3.2ClH/c1-2-10(1)9-15-8-7-14-12(15)11-3-5-13-6-4-11;;/h7-8,10-11,13H,1-6,9H2;2*1H
InChIKeyMUJJTVAHDHJOIL-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.60
Rot. Bonds3

About 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride

4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride (PubChem CID 75485592) has the molecular formula C12H21Cl2N3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride
PubChem CID75485592
Molecular FormulaC12H21Cl2N3
Molecular Weight278.23 g/mol
Exact Mass277.11
IUPAC Name4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride
SMILESCl.Cl.c1cn(CC2CC2)c(C2CCNCC2)n1
InChIInChI=1S/C12H19N3.2ClH/c1-2-10(1)9-15-8-7-14-12(15)11-3-5-13-6-4-11;;/h7-8,10-11,13H,1-6,9H2;2*1H
InChIKeyMUJJTVAHDHJOIL-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
CID 75485601
4-(1-prop-2-enylimidazol-2-yl)piperidine
CID 84733038
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
CID 155911076
4-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]piperidine
CID 176515434
4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine
CID 70740839
4-[[2-(5-chlorothiophen-2-yl)imidazol-1-yl]methyl]piperidine;dihydrochloride
CID 171340117
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 70728553
3-[(2-cyclohexylimidazol-1-yl)methyl]thiolane 1,1-dioxide
CID 56865181
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 70778833
2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 70748738
3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 70706175

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride?
The IUPAC name of 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride (CID 75485592) is 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride?
The canonical SMILES for 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride is Cl.Cl.c1cn(CC2CC2)c(C2CCNCC2)n1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride?
The InChIKey is MUJJTVAHDHJOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.2ClH/c1-2-10(1)9-15-8-7-14-12(15)11-3-5-13-6-4-11;;/h7-8,10-11,13H,1-6,9H2;2*1H.
What are the key properties of 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride?
4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride has a molecular weight of 278.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride is sourced from PubChem (CID 75485592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).