benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate

C15H22N2O2 — CID 174415897

IUPACbenzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate
SMILESCC1(C(N)C(=O)OCc2ccccc2)CCNCC1
InChIInChI=1S/C15H22N2O2/c1-15(7-9-17-10-8-15)13(16)14(18)19-11-12-5-3-2-4-6-12/h2-6,13,17H,7-11,16H2,1H3
InChIKeyHGDJDBFGUANSNI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds4

About benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate

benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate (PubChem CID 174415897) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate
PubChem CID174415897
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate
SMILESCC1(C(N)C(=O)OCc2ccccc2)CCNCC1
InChIInChI=1S/C15H22N2O2/c1-15(7-9-17-10-8-15)13(16)14(18)19-11-12-5-3-2-4-6-12/h2-6,13,17H,7-11,16H2,1H3
InChIKeyHGDJDBFGUANSNI-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(4-hydroxypiperidin-4-yl)propanoate
CID 135317783
4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
CID 174550650
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl 6-azaspiro[2.5]octane-2-carboxylate
CID 163299046
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
benzyl 4-hydroxy-4-methylpiperidine-1-carboxylate;methane;methanol;4-methylpiperidin-4-ol
CID 160875015
benzyl carbonochloridate;(3S)-3-fluoro-3-methylpyrrolidine
CID 158673832
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate
CID 52949668

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate?
The IUPAC name of benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate (CID 174415897) is benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate.
What is the SMILES notation for benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate?
The canonical SMILES for benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate is CC1(C(N)C(=O)OCc2ccccc2)CCNCC1.
What is the InChIKey of benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate?
The InChIKey is HGDJDBFGUANSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(7-9-17-10-8-15)13(16)14(18)19-11-12-5-3-2-4-6-12/h2-6,13,17H,7-11,16H2,1H3.
What are the key properties of benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate?
benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate has a molecular weight of 262.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate is sourced from PubChem (CID 174415897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).