(3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine

C12H21N3 — CID 59880776

IUPAC(3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine
SMILESCc1nc(C)n(C[C@H]2CCCNC2)c1C
InChIInChI=1S/C12H21N3/c1-9-10(2)15(11(3)14-9)8-12-5-4-6-13-7-12/h12-13H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyPCKIWUZHJVHZBU-LBPRGKRZSA-N
MW207.32 g/mol
LogP1.81
Rot. Bonds2

About (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine

(3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine (PubChem CID 59880776) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine
PubChem CID59880776
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine
SMILESCc1nc(C)n(C[C@H]2CCCNC2)c1C
InChIInChI=1S/C12H21N3/c1-9-10(2)15(11(3)14-9)8-12-5-4-6-13-7-12/h12-13H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyPCKIWUZHJVHZBU-LBPRGKRZSA-N
XLogP1.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4,5-Trimethyl-1H-imidazol-1-yl)propan-1-amine
CID 18722289
2,3-dimethyl-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 50987626
(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 124710767
(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 124710768
1,3-Dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 74889028
1-(1,4,5-Trimethylimidazol-2-yl)ethanamine
CID 82463368
4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine dihydrochloride
CID 86812362
3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 121552282
3-[(5-methyl-1-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820590
3-[(1-isopropyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820592
4-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidine
CID 110198103
N-methyl-1-[(2R)-1-methylpiperidin-2-yl]-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
CID 125520307

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine?
The IUPAC name of (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine (CID 59880776) is (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine is Cc1nc(C)n(C[C@H]2CCCNC2)c1C.
What is the InChIKey of (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine?
The InChIKey is PCKIWUZHJVHZBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-10(2)15(11(3)14-9)8-12-5-4-6-13-7-12/h12-13H,4-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine?
(3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 59880776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).