2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide

C18H28N2O2 — CID 172748335

IUPAC2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide
SMILESCC(c1ccccc1)N1CCC(O)(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-14(17(21)19(3)4)18(22)10-12-20(13-11-18)15(2)16-8-6-5-7-9-16/h5-9,14-15,22H,10-13H2,1-4H3
InChIKeyKAITYHFDUMFXNI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide

2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide (PubChem CID 172748335) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide
PubChem CID172748335
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide
SMILESCC(c1ccccc1)N1CCC(O)(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-14(17(21)19(3)4)18(22)10-12-20(13-11-18)15(2)16-8-6-5-7-9-16/h5-9,14-15,22H,10-13H2,1-4H3
InChIKeyKAITYHFDUMFXNI-UHFFFAOYSA-N
XLogP2.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-1-(phenylmethyl)-2-piperidinone
CID 13610001
4-Piperidinol, 4-(1-carbamoylpropyl)-1-(1,2,3,4-tetrahydro-2-naphthyl)-
CID 3040614
N-cyclohexyl-2-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]-N-methylpropanamide;hydrochloride
CID 13061483
N-cyclohexyl-2-[4-hydroxy-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methylpropanamide;hydrochloride
CID 13061485
2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-cyclohexyl-N-methylpropanamide;hydrochloride
CID 49860892
(4aR*,8aR*)-2-(cyclobutylcarbonyl)-7-(2-methylbenzyl)octahydro-2,7-naphthyridin-4a(2H)-ol
CID 72935144
1-[4-[Benzyl(methyl)amino]butyl]piperidin-2-one
CID 134139724
1-Benzyl-3-(1-hydroxy-2-methylpropyl)piperidin-2-one
CID 76323320
Cambridge id 5265215
CID 2838325
(3R*,4S*)-1-[(1-benzyl-4-piperidinyl)acetyl]-3,4-dimethyl-4-piperidinol
CID 72867068
Cyclobutyl-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 45848008
1-Benzyl-3-(1-hydroxy-4-methylpentyl)piperidin-2-one
CID 76323321

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide (CID 172748335) is 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide is CC(c1ccccc1)N1CCC(O)(C(C)C(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide?
The InChIKey is KAITYHFDUMFXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(17(21)19(3)4)18(22)10-12-20(13-11-18)15(2)16-8-6-5-7-9-16/h5-9,14-15,22H,10-13H2,1-4H3.
What are the key properties of 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide?
2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(1-phenylethyl)piperidin-4-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 172748335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).