(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine

C12H21N3 — CID 99844682

IUPAC(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine
SMILESCCn1ccnc1CN1CCCC[C@@H]1C
InChIInChI=1S/C12H21N3/c1-3-14-9-7-13-12(14)10-15-8-5-4-6-11(15)2/h7,9,11H,3-6,8,10H2,1-2H3/t11-/m0/s1
InChIKeyNFIIVWPXFDBKKX-NSHDSACASA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds3

About (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine

(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine (PubChem CID 99844682) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine
PubChem CID99844682
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine
SMILESCCn1ccnc1CN1CCCC[C@@H]1C
InChIInChI=1S/C12H21N3/c1-3-14-9-7-13-12(14)10-15-8-5-4-6-11(15)2/h7,9,11H,3-6,8,10H2,1-2H3/t11-/m0/s1
InChIKeyNFIIVWPXFDBKKX-NSHDSACASA-N
XLogP2.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butylimidazole
CID 61347
1-Hexadecyl-3-methylimidazolium Chloride
CID 2734231
1-Decyl-3-methylimidazolium Bromide
CID 22078297
1-Octyl-3-methylimidazolium chloride
CID 2734223
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
1,3-Didecyl-2-methyl-1H-imidazolium chloride
CID 2775940
1-Dodecylimidazole
CID 78002
1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride
CID 2734227
1-Hexyl-3-methylimidazolium chloride
CID 2734163
1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1-Decyl-3-methylimidazolium chloride
CID 2734225

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine?
The IUPAC name of (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine (CID 99844682) is (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine?
The canonical SMILES for (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine is CCn1ccnc1CN1CCCC[C@@H]1C.
What is the InChIKey of (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine?
The InChIKey is NFIIVWPXFDBKKX-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3/c1-3-14-9-7-13-12(14)10-15-8-5-4-6-11(15)2/h7,9,11H,3-6,8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine?
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine is sourced from PubChem (CID 99844682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).