(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine

C16H27N3O — CID 124989956

IUPAC(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine
SMILESCc1cn(C)c([C@@H]2CCCN(CC3CCOCC3)C2)n1
InChIInChI=1S/C16H27N3O/c1-13-10-18(2)16(17-13)15-4-3-7-19(12-15)11-14-5-8-20-9-6-14/h10,14-15H,3-9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyOYFCSSHXZGNDHJ-OAHLLOKOSA-N
MW277.41 g/mol
LogP2.33
Rot. Bonds3

About (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine

(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine (PubChem CID 124989956) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine
PubChem CID124989956
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine
SMILESCc1cn(C)c([C@@H]2CCCN(CC3CCOCC3)C2)n1
InChIInChI=1S/C16H27N3O/c1-13-10-18(2)16(17-13)15-4-3-7-19(12-15)11-14-5-8-20-9-6-14/h10,14-15H,3-9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyOYFCSSHXZGNDHJ-OAHLLOKOSA-N
XLogP2.33
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)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

1,4-dimethyl-2-[1-(oxan-4-yl)pyrrolidin-2-yl]imidazole
CID 110104266
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 110104154
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591
5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 110104090
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
4-[[5-[(3R)-1-(cyclopentylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95870224
4-methyl-2-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 110103697
4-[(3R)-1-(oxan-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 124946485
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine
CID 125025540
1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
CID 124959858
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110103951

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine?
The IUPAC name of (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine (CID 124989956) is (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine.
What is the SMILES notation for (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine?
The canonical SMILES for (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine is Cc1cn(C)c([C@@H]2CCCN(CC3CCOCC3)C2)n1.
What is the InChIKey of (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine?
The InChIKey is OYFCSSHXZGNDHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-10-18(2)16(17-13)15-4-3-7-19(12-15)11-14-5-8-20-9-6-14/h10,14-15H,3-9,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine?
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine has a molecular weight of 277.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine is sourced from PubChem (CID 124989956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).