(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone

C17H23NO2 — CID 122139809

IUPAC(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone
SMILESCC1CC(c2ccccc2)CCN1C(=O)C1CCOC1
InChIInChI=1S/C17H23NO2/c1-13-11-15(14-5-3-2-4-6-14)7-9-18(13)17(19)16-8-10-20-12-16/h2-6,13,15-16H,7-12H2,1H3
InChIKeyAATHPWDQPIVYCH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.82
Rot. Bonds2

About (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone

(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone (PubChem CID 122139809) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone
PubChem CID122139809
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone
SMILESCC1CC(c2ccccc2)CCN1C(=O)C1CCOC1
InChIInChI=1S/C17H23NO2/c1-13-11-15(14-5-3-2-4-6-14)7-9-18(13)17(19)16-8-10-20-12-16/h2-6,13,15-16H,7-12H2,1H3
InChIKeyAATHPWDQPIVYCH-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 99830247
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509
2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid
CID 121267335
[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone
CID 71929460
(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633950
[(3S,4R)-4-(2-bromophenyl)pyrrolidin-3-yl]-(2-methyl-4-phenylpiperidin-1-yl)methanone
CID 59563609
[(2S,3R)-2-benzyl-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97392059
[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
CID 95614757
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
(3-chloropyrazin-2-yl)-(2-methyl-4-phenylpiperidin-1-yl)methanone
CID 154856684

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone (CID 122139809) is (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone is CC1CC(c2ccccc2)CCN1C(=O)C1CCOC1.
What is the InChIKey of (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone?
The InChIKey is AATHPWDQPIVYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-11-15(14-5-3-2-4-6-14)7-9-18(13)17(19)16-8-10-20-12-16/h2-6,13,15-16H,7-12H2,1H3.
What are the key properties of (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone?
(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 122139809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).