1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine

C24H35N3O — CID 67457722

IUPAC1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine
SMILESCC(C)(C)c1nc(-c2cccc(N3CCCCC3)c2)cn1CC1CCOCC1
InChIInChI=1S/C24H35N3O/c1-24(2,3)23-25-22(18-27(23)17-19-10-14-28-15-11-19)20-8-7-9-21(16-20)26-12-5-4-6-13-26/h7-9,16,18-19H,4-6,10-15,17H2,1-3H3
InChIKeyAORIWOYCQITFOB-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.26
Rot. Bonds4

About 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine

1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine (PubChem CID 67457722) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine.

Molecular Properties

Compound Name1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine
PubChem CID67457722
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine
SMILESCC(C)(C)c1nc(-c2cccc(N3CCCCC3)c2)cn1CC1CCOCC1
InChIInChI=1S/C24H35N3O/c1-24(2,3)23-25-22(18-27(23)17-19-10-14-28-15-11-19)20-8-7-9-21(16-20)26-12-5-4-6-13-26/h7-9,16,18-19H,4-6,10-15,17H2,1-3H3
InChIKeyAORIWOYCQITFOB-UHFFFAOYSA-N
XLogP5.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole
CID 67456897
3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 67457801
2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
CID 67456732
2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine
CID 87407652
3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine
CID 67453486
2-tert-butyl-4-(3-nitrophenyl)-1-(oxolan-2-ylmethyl)imidazole
CID 67456210
4-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 87407869
5-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N,N-diethyl-1,2-oxazole-3-carboxamide
CID 67459280
ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine
CID 142888836
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
CID 31125725
2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine
CID 168513130
6-(3-pyrrolidin-1-ylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 168514834

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine?
The IUPAC name of 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine (CID 67457722) is 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine.
What is the SMILES notation for 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine?
The canonical SMILES for 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine is CC(C)(C)c1nc(-c2cccc(N3CCCCC3)c2)cn1CC1CCOCC1.
What is the InChIKey of 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine?
The InChIKey is AORIWOYCQITFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-24(2,3)23-25-22(18-27(23)17-19-10-14-28-15-11-19)20-8-7-9-21(16-20)26-12-5-4-6-13-26/h7-9,16,18-19H,4-6,10-15,17H2,1-3H3.
What are the key properties of 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine?
1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine has a molecular weight of 381.56 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]phenyl]piperidine is sourced from PubChem (CID 67457722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).