1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine

C21H35N3O — CID 56870394

IUPAC1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine
SMILESCC1(C)CC(c2nccn2CC2CCN(C3CCCC3)CC2)CCO1
InChIInChI=1S/C21H35N3O/c1-21(2)15-18(9-14-25-21)20-22-10-13-24(20)16-17-7-11-23(12-8-17)19-5-3-4-6-19/h10,13,17-19H,3-9,11-12,14-16H2,1-2H3
InChIKeyGVLVEVRYBBGOFZ-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.21
Rot. Bonds4

About 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine

1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine (PubChem CID 56870394) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine
PubChem CID56870394
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine
SMILESCC1(C)CC(c2nccn2CC2CCN(C3CCCC3)CC2)CCO1
InChIInChI=1S/C21H35N3O/c1-21(2)15-18(9-14-25-21)20-22-10-13-24(20)16-17-7-11-23(12-8-17)19-5-3-4-6-19/h10,13,17-19H,3-9,11-12,14-16H2,1-2H3
InChIKeyGVLVEVRYBBGOFZ-UHFFFAOYSA-N
XLogP4.21
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine
CID 56865343
5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole
CID 95724185
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
CID 155911076
N-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-3-methylpyridin-2-amine
CID 70749991
1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole
CID 56865838
2-(2,2-dimethyloxan-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole
CID 56918232
4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
CID 75485601
2-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-6-fluoro-1H-benzimidazole
CID 95862792
3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 56871065
N-[4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]phenyl]acetamide
CID 96578399
4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride
CID 75485592
3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine
CID 70738565

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine?
The IUPAC name of 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine (CID 56870394) is 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine.
What is the SMILES notation for 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine?
The canonical SMILES for 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine is CC1(C)CC(c2nccn2CC2CCN(C3CCCC3)CC2)CCO1.
What is the InChIKey of 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine?
The InChIKey is GVLVEVRYBBGOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-21(2)15-18(9-14-25-21)20-22-10-13-24(20)16-17-7-11-23(12-8-17)19-5-3-4-6-19/h10,13,17-19H,3-9,11-12,14-16H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine?
1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine has a molecular weight of 345.53 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine is sourced from PubChem (CID 56870394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).