(3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone

C19H30N2O2 — CID 102553763

IUPAC(3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NCC(C)CO
InChIInChI=1S/C19H30N2O2/c1-13-7-14(2)11-21(10-13)19(23)17-6-5-16(4)18(8-17)20-9-15(3)12-22/h5-6,8,13-15,20,22H,7,9-12H2,1-4H3
InChIKeyDMQXPYVJZWVHLR-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.15
Rot. Bonds5

About (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone

(3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone (PubChem CID 102553763) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone
PubChem CID102553763
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NCC(C)CO
InChIInChI=1S/C19H30N2O2/c1-13-7-14(2)11-21(10-13)19(23)17-6-5-16(4)18(8-17)20-9-15(3)12-22/h5-6,8,13-15,20,22H,7,9-12H2,1-4H3
InChIKeyDMQXPYVJZWVHLR-UHFFFAOYSA-N
XLogP3.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide
CID 132970155
(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone
CID 132970238
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(1H-imidazol-2-ylmethylamino)-4-methylphenyl]methanone
CID 97236628
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55895763
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 60534600
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55895384
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone (CID 102553763) is (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NCC(C)CO.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone?
The InChIKey is DMQXPYVJZWVHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13-7-14(2)11-21(10-13)19(23)17-6-5-16(4)18(8-17)20-9-15(3)12-22/h5-6,8,13-15,20,22H,7,9-12H2,1-4H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone has a molecular weight of 318.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone is sourced from PubChem (CID 102553763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).