methyl 2-phenyl-2-piperidin-1-ylacetate

C14H19NO2 — CID 12957460

IUPACmethyl 2-phenyl-2-piperidin-1-ylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(12-8-4-2-5-9-12)15-10-6-3-7-11-15/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyHWDNZLIVCGDZFU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-phenyl-2-piperidin-1-ylacetate

methyl 2-phenyl-2-piperidin-1-ylacetate (PubChem CID 12957460) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-phenyl-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-piperidin-1-ylacetate
PubChem CID12957460
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-phenyl-2-piperidin-1-ylacetate
SMILESCOC(=O)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(12-8-4-2-5-9-12)15-10-6-3-7-11-15/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyHWDNZLIVCGDZFU-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
propan-2-yl 2-phenyl-2-piperidin-1-ylacetate
CID 85412876
methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
CID 102294238
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
CID 95335169
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
CID 117066829
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
methyl 2-naphthalen-2-yl-2-pyrrolidin-1-ylacetate
CID 116860560
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate
CID 146045375

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-piperidin-1-ylacetate?
The IUPAC name of methyl 2-phenyl-2-piperidin-1-ylacetate (CID 12957460) is methyl 2-phenyl-2-piperidin-1-ylacetate.
What is the SMILES notation for methyl 2-phenyl-2-piperidin-1-ylacetate?
The canonical SMILES for methyl 2-phenyl-2-piperidin-1-ylacetate is COC(=O)C(c1ccccc1)N1CCCCC1.
What is the InChIKey of methyl 2-phenyl-2-piperidin-1-ylacetate?
The InChIKey is HWDNZLIVCGDZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)13(12-8-4-2-5-9-12)15-10-6-3-7-11-15/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3.
What are the key properties of methyl 2-phenyl-2-piperidin-1-ylacetate?
methyl 2-phenyl-2-piperidin-1-ylacetate has a molecular weight of 233.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-piperidin-1-ylacetate is sourced from PubChem (CID 12957460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).