methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate

C16H24N2O2 — CID 83826140

IUPACmethyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate
SMILESCOC(=O)C(CN)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)15(11-17)14-7-9-18(10-8-14)12-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3
InChIKeyPOAUGOICLTXOPH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.65
Rot. Bonds5

About methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate

methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate (PubChem CID 83826140) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate
PubChem CID83826140
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate
SMILESCOC(=O)C(CN)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)15(11-17)14-7-9-18(10-8-14)12-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3
InChIKeyPOAUGOICLTXOPH-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]-3-methylbutanedioate
CID 166986160
(1R)-2-amino-1-(1-benzylpiperidin-4-yl)ethanol
CID 96813761
3-amino-2-(1-benzylpiperidin-4-yl)propan-1-ol
CID 83977147
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739
methyl (2S,3R)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoate
CID 7529321
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate?
The IUPAC name of methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate (CID 83826140) is methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate.
What is the SMILES notation for methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate?
The canonical SMILES for methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate is COC(=O)C(CN)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate?
The InChIKey is POAUGOICLTXOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-16(19)15(11-17)14-7-9-18(10-8-14)12-13-5-3-2-4-6-13/h2-6,14-15H,7-12,17H2,1H3.
What are the key properties of methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate?
methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate has a molecular weight of 276.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate is sourced from PubChem (CID 83826140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).