(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine

C10H17N3 — CID 96743464

IUPAC(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine
SMILESCc1cn(C)c([C@H]2CCCNC2)n1
InChIInChI=1S/C10H17N3/c1-8-7-13(2)10(12-8)9-4-3-5-11-6-9/h7,9,11H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyQMZRKSZYQVUYJT-VIFPVBQESA-N
MW179.27 g/mol
LogP1.20
Rot. Bonds1

About (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine

(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine (PubChem CID 96743464) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine
PubChem CID96743464
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine
SMILESCc1cn(C)c([C@H]2CCCNC2)n1
InChIInChI=1S/C10H17N3/c1-8-7-13(2)10(12-8)9-4-3-5-11-6-9/h7,9,11H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyQMZRKSZYQVUYJT-VIFPVBQESA-N
XLogP1.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-dimethylimidazol-2-yl)-N-methylpiperidin-3-amine
CID 106551810
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
2,4,7-trimethyl-5-piperidin-3-ylpyrrolo[2,3-d]pyrimidine
CID 82664860
1-bromo-6-methyl-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743889
2,6-dimethyl-3-piperidin-3-ylpyridine
CID 82603619
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
4-methyl-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole;hydrochloride
CID 154906164
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
1,5-dimethyl-6-piperidin-3-ylpyrrolo[3,2-b]pyridine
CID 142415545
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine?
The IUPAC name of (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine (CID 96743464) is (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine.
What is the SMILES notation for (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine?
The canonical SMILES for (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine is Cc1cn(C)c([C@H]2CCCNC2)n1.
What is the InChIKey of (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine?
The InChIKey is QMZRKSZYQVUYJT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3/c1-8-7-13(2)10(12-8)9-4-3-5-11-6-9/h7,9,11H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine?
(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,4-dimethylimidazol-2-yl)piperidine is sourced from PubChem (CID 96743464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).