4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid

C18H25NO3 — CID 135330064

IUPAC4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCc2ccccc2)([C@@H]2CCCO2)CC1
InChIInChI=1S/C18H25NO3/c20-17(21)19-12-10-18(11-13-19,16-7-4-14-22-16)9-8-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,20,21)/t16-/m0/s1
InChIKeyJPUZLUKEMLUVDA-INIZCTEOSA-N
MW303.40 g/mol
LogP3.56
Rot. Bonds4

About 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid

4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid (PubChem CID 135330064) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid
PubChem CID135330064
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCc2ccccc2)([C@@H]2CCCO2)CC1
InChIInChI=1S/C18H25NO3/c20-17(21)19-12-10-18(11-13-19,16-7-4-14-22-16)9-8-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,20,21)/t16-/m0/s1
InChIKeyJPUZLUKEMLUVDA-INIZCTEOSA-N
XLogP3.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[3-(oxolan-2-yl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135323234
N-[4-[[4-[(2S)-oxetan-2-yl]-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 135329983
1-[4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-3-phenylpropan-1-one
CID 131648583
tert-butyl 3-(3,3-dimethyloxetan-2-yl)-3-(2-phenylethyl)pyrrolidine-1-carboxylate
CID 135323175
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 45202488
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
1-[4-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 71975296
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
furan-2-yl-[4-[[1-[(2S)-oxan-2-yl]cyclobutyl]methyl]piperazin-1-yl]methanone
CID 164630611
N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908254
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid (CID 135330064) is 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CCc2ccccc2)([C@@H]2CCCO2)CC1.
What is the InChIKey of 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid?
The InChIKey is JPUZLUKEMLUVDA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(21)19-12-10-18(11-13-19,16-7-4-14-22-16)9-8-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,20,21)/t16-/m0/s1.
What are the key properties of 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid?
4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-oxolan-2-yl]-4-(2-phenylethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 135330064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).