4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine

C12H21N3 — CID 84734211

IUPAC4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
SMILESCC(C)n1ccnc1CC1CCNCC1
InChIInChI=1S/C12H21N3/c1-10(2)15-8-7-14-12(15)9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyJLPDBOJLJAKJEX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds3

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

4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine (PubChem CID 84734211) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
PubChem CID84734211
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
SMILESCC(C)n1ccnc1CC1CCNCC1
InChIInChI=1S/C12H21N3/c1-10(2)15-8-7-14-12(15)9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyJLPDBOJLJAKJEX-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033628
N-(1-propan-2-ylimidazol-2-yl)piperidin-4-amine
CID 115026071
3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 79719529
1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one
CID 80581118
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717441
N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
CID 117187481
[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine
CID 165488496
3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazine
CID 84681989
2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride
CID 171687287
4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
CID 117391867
1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole
CID 106938088
N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124944029

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine (CID 84734211) is 4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine is CC(C)n1ccnc1CC1CCNCC1.
What is the InChIKey of 4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine?
The InChIKey is JLPDBOJLJAKJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15-8-7-14-12(15)9-11-3-5-13-6-4-11/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of 4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine?
4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 84734211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).