(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone

C17H25NO — CID 4191222

IUPAC(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H25NO/c1-12(2)15-5-7-16(8-6-15)17(19)18-10-13(3)9-14(4)11-18/h5-8,12-14H,9-11H2,1-4H3
InChIKeyBVOCMOOEJQBLML-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.93
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone

(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 4191222) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID4191222
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H25NO/c1-12(2)15-5-7-16(8-6-15)17(19)18-10-13(3)9-14(4)11-18/h5-8,12-14H,9-11H2,1-4H3
InChIKeyBVOCMOOEJQBLML-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 118770730
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
[3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 166782014
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732
(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
CID 176864496
[4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl] acetate
CID 690413
(E)-1-(3,5-dimethylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6011595

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone (CID 4191222) is (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone is CC1CC(C)CN(C(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is BVOCMOOEJQBLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)15-5-7-16(8-6-15)17(19)18-10-13(3)9-14(4)11-18/h5-8,12-14H,9-11H2,1-4H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 259.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 4191222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).