(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride

C11H21Cl2N3 — CID 169424334

IUPAC(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
SMILESCCc1nccn1C[C@@H]1CCCNC1.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-2-11-13-6-7-14(11)9-10-4-3-5-12-8-10;;/h6-7,10,12H,2-5,8-9H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyDQKSBMSELXZWJE-YQFADDPSSA-N
MW266.22 g/mol
LogP2.29
Rot. Bonds3

About (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride

(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride (PubChem CID 169424334) has the molecular formula C11H21Cl2N3 and a molecular weight of 266.22 g/mol. Its IUPAC name is (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
PubChem CID169424334
Molecular FormulaC11H21Cl2N3
Molecular Weight266.22 g/mol
Exact Mass265.11
IUPAC Name(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
SMILESCCc1nccn1C[C@@H]1CCCNC1.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-2-11-13-6-7-14(11)9-10-4-3-5-12-8-10;;/h6-7,10,12H,2-5,8-9H2,1H3;2*1H/t10-;;/m1../s1
InChIKeyDQKSBMSELXZWJE-YQFADDPSSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63811309
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3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
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2-ethyl-1-(oxiran-2-ylmethyl)imidazole
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1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one
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N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106639131
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
9-[[(3R)-piperidin-3-yl]methyl]purin-2-amine
CID 68898401
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
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CID 106642829

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride?
The IUPAC name of (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride (CID 169424334) is (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride.
What is the SMILES notation for (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride?
The canonical SMILES for (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride is CCc1nccn1C[C@@H]1CCCNC1.Cl.Cl.
What is the InChIKey of (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride?
The InChIKey is DQKSBMSELXZWJE-YQFADDPSSA-N. The full InChI is InChI=1S/C11H19N3.2ClH/c1-2-11-13-6-7-14(11)9-10-4-3-5-12-8-10;;/h6-7,10,12H,2-5,8-9H2,1H3;2*1H/t10-;;/m1../s1.
What are the key properties of (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride?
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride has a molecular weight of 266.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride is sourced from PubChem (CID 169424334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).