1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate

C19H29NO3 — CID 174713677

IUPAC1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate
SMILESCCC(=O)OC(CC)C1(O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-3-17(23-18(21)4-2)19(22)11-14-20(15-12-19)13-10-16-8-6-5-7-9-16/h5-9,17,22H,3-4,10-15H2,1-2H3
InChIKeyZRLNOMOLXHVULB-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.79
Rot. Bonds7

About 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate

1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate (PubChem CID 174713677) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate.

Molecular Properties

Compound Name1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate
PubChem CID174713677
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate
SMILESCCC(=O)OC(CC)C1(O)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-3-17(23-18(21)4-2)19(22)11-14-20(15-12-19)13-10-16-8-6-5-7-9-16/h5-9,17,22H,3-4,10-15H2,1-2H3
InChIKeyZRLNOMOLXHVULB-UHFFFAOYSA-N
XLogP2.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
[4-but-3-yn-2-yl-1-(2-phenylethyl)piperidin-4-yl] propanoate
CID 165343620
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
methyl 1-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 165365203
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
N-[[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 165352141
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
sodium;hydride;methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 173002379
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
2-oxobutyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163899623
[3-methyl-1-(2-phenylethyl)-4-prop-2-ynylpiperidin-4-yl] propanoate
CID 165360334

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate?
The IUPAC name of 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate (CID 174713677) is 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate.
What is the SMILES notation for 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate?
The canonical SMILES for 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate is CCC(=O)OC(CC)C1(O)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate?
The InChIKey is ZRLNOMOLXHVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-17(23-18(21)4-2)19(22)11-14-20(15-12-19)13-10-16-8-6-5-7-9-16/h5-9,17,22H,3-4,10-15H2,1-2H3.
What are the key properties of 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate?
1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate has a molecular weight of 319.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-1-(2-phenylethyl)piperidin-4-yl]propyl propanoate is sourced from PubChem (CID 174713677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).