ethane;1-(1H-imidazol-2-ylmethyl)piperidine

C11H21N3 — CID 145119254

IUPACethane;1-(1H-imidazol-2-ylmethyl)piperidine
SMILESCC.c1c[nH]c(CN2CCCCC2)n1
InChIInChI=1S/C9H15N3.C2H6/c1-2-6-12(7-3-1)8-9-10-4-5-11-9;1-2/h4-5H,1-3,6-8H2,(H,10,11);1-2H3
InChIKeyBEWGBCVECZPKDX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.42
Rot. Bonds2

About ethane;1-(1H-imidazol-2-ylmethyl)piperidine

ethane;1-(1H-imidazol-2-ylmethyl)piperidine (PubChem CID 145119254) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;1-(1H-imidazol-2-ylmethyl)piperidine.

Molecular Properties

Compound Nameethane;1-(1H-imidazol-2-ylmethyl)piperidine
PubChem CID145119254
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Nameethane;1-(1H-imidazol-2-ylmethyl)piperidine
SMILESCC.c1c[nH]c(CN2CCCCC2)n1
InChIInChI=1S/C9H15N3.C2H6/c1-2-6-12(7-3-1)8-9-10-4-5-11-9;1-2/h4-5H,1-3,6-8H2,(H,10,11);1-2H3
InChIKeyBEWGBCVECZPKDX-UHFFFAOYSA-N
XLogP2.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]azepane
CID 72887253
4-tert-butyl-1-(1H-imidazol-2-ylmethyl)azepane
CID 131906720
1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 3597309
1-[4-(azepan-1-ylmethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111673
1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane
CID 95811332
1-(1H-imidazol-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 122137115
formic acid;1-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 157155381
4-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 50980313
(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
CID 125437759
[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
CID 130604179
N-[(4S,5S)-5-hydroxy-1-(1H-imidazol-2-ylmethyl)azepan-4-yl]acetamide
CID 110126858
(3aS,6aR)-2-(1H-imidazol-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 110126527

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1H-imidazol-2-ylmethyl)piperidine?
The IUPAC name of ethane;1-(1H-imidazol-2-ylmethyl)piperidine (CID 145119254) is ethane;1-(1H-imidazol-2-ylmethyl)piperidine.
What is the SMILES notation for ethane;1-(1H-imidazol-2-ylmethyl)piperidine?
The canonical SMILES for ethane;1-(1H-imidazol-2-ylmethyl)piperidine is CC.c1c[nH]c(CN2CCCCC2)n1.
What is the InChIKey of ethane;1-(1H-imidazol-2-ylmethyl)piperidine?
The InChIKey is BEWGBCVECZPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C2H6/c1-2-6-12(7-3-1)8-9-10-4-5-11-9;1-2/h4-5H,1-3,6-8H2,(H,10,11);1-2H3.
What are the key properties of ethane;1-(1H-imidazol-2-ylmethyl)piperidine?
ethane;1-(1H-imidazol-2-ylmethyl)piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1H-imidazol-2-ylmethyl)piperidine is sourced from PubChem (CID 145119254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).