methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate

C15H21NO3 — CID 60632376

IUPACmethyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-19-15(18)13-7-9-16(10-8-13)11-14(17)12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3
InChIKeyABSGJPXVDYNBAO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.61
Rot. Bonds4

About methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate

methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate (PubChem CID 60632376) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
PubChem CID60632376
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-19-15(18)13-7-9-16(10-8-13)11-14(17)12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3
InChIKeyABSGJPXVDYNBAO-UHFFFAOYSA-N
XLogP1.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
methyl 4-(2-hydroxy-2-phenylethoxy)cyclohexane-1-carboxylate
CID 114450819
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
N-[2-(dimethylamino)ethyl]-1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 110913208
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
methyl 1-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]piperidine-4-carboxylate
CID 8754473
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate (CID 60632376) is methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is ABSGJPXVDYNBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-15(18)13-7-9-16(10-8-13)11-14(17)12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3.
What are the key properties of methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate?
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 60632376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).