(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone

C22H25NO3 — CID 164898776

IUPAC(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
SMILESO=C(c1ccc(C2(O)COC2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25NO3/c24-21(19-6-8-20(9-7-19)22(25)15-26-16-22)23-12-10-18(11-13-23)14-17-4-2-1-3-5-17/h1-9,18,25H,10-16H2
InChIKeyWFVPOQCATJFJRS-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.00
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone

(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone (PubChem CID 164898776) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
PubChem CID164898776
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
SMILESO=C(c1ccc(C2(O)COC2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25NO3/c24-21(19-6-8-20(9-7-19)22(25)15-26-16-22)23-12-10-18(11-13-23)14-17-4-2-1-3-5-17/h1-9,18,25H,10-16H2
InChIKeyWFVPOQCATJFJRS-UHFFFAOYSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone 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

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 11596612
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone (CID 164898776) is (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone is O=C(c1ccc(C2(O)COC2)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone?
The InChIKey is WFVPOQCATJFJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(19-6-8-20(9-7-19)22(25)15-26-16-22)23-12-10-18(11-13-23)14-17-4-2-1-3-5-17/h1-9,18,25H,10-16H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone?
(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone has a molecular weight of 351.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone is sourced from PubChem (CID 164898776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).