(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate

C14H20N2O2 — CID 61284960

IUPAC(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
SMILESCN1CCC(OC(=O)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-16-9-7-12(8-10-16)18-14(17)13(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3/t13-/m1/s1
InChIKeyHITWCRBKEUYBTO-CYBMUJFWSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds3

About (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate

(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate (PubChem CID 61284960) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
PubChem CID61284960
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
SMILESCN1CCC(OC(=O)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-16-9-7-12(8-10-16)18-14(17)13(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3/t13-/m1/s1
InChIKeyHITWCRBKEUYBTO-CYBMUJFWSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58676243
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ethyl 2-(1-methylpiperidin-4-yl)oxy-2-phenylacetate
CID 66835932
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-amino-2-phenylacetate
CID 86720689
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
CID 60953001
ethane;(1-methylpyrrolidin-3-yl) 3-methyl-2-phenylhexanoate
CID 143465368
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate
CID 118541578
(1-methylpiperidin-4-yl) 2-sulfanylpropanoate
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1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate?
The IUPAC name of (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate (CID 61284960) is (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate.
What is the SMILES notation for (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate?
The canonical SMILES for (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate is CN1CCC(OC(=O)[C@H](N)c2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate?
The InChIKey is HITWCRBKEUYBTO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-9-7-12(8-10-16)18-14(17)13(15)11-5-3-2-4-6-11/h2-6,12-13H,7-10,15H2,1H3/t13-/m1/s1.
What are the key properties of (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate?
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate has a molecular weight of 248.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate is sourced from PubChem (CID 61284960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).