[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone

C19H21NO2 — CID 110397046

IUPAC[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO2/c1-15-7-9-17(10-8-15)22-18-11-13-20(14-12-18)19(21)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyUNMSZKOXSUUERF-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.68
Rot. Bonds3

About [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone

[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone (PubChem CID 110397046) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
PubChem CID110397046
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21NO2/c1-15-7-9-17(10-8-15)22-18-11-13-20(14-12-18)19(21)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyUNMSZKOXSUUERF-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 167117214
(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86835918
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone (CID 110397046) is [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone is Cc1ccc(OC2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone?
The InChIKey is UNMSZKOXSUUERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15-7-9-17(10-8-15)22-18-11-13-20(14-12-18)19(21)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3.
What are the key properties of [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone?
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone has a molecular weight of 295.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110397046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).