benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate

C16H24N2O2 — CID 83855176

IUPACbenzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCc2ccccc2)CC1N
InChIInChI=1S/C16H24N2O2/c1-12(2)14-8-9-18(10-15(14)17)16(19)20-11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3
InChIKeyGBPOPWZTKBWJRQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.63
Rot. Bonds3

About benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate

benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 83855176) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate
PubChem CID83855176
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebenzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCc2ccccc2)CC1N
InChIInChI=1S/C16H24N2O2/c1-12(2)14-8-9-18(10-15(14)17)16(19)20-11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3
InChIKeyGBPOPWZTKBWJRQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 155921089
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;hydrochloride
CID 129320025
benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
CID 70943335
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
1-phenylmethoxycarbonylpyrrolidine-3-carboxylate
CID 74447193
benzyl 4-bromo-3-(bromomethyl)piperidine-1-carboxylate
CID 130960902
benzyl (3R,4S)-3-hydroxy-4-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 46939031
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl 3-aminopyrrolidine-1-carboxylate;benzyl 3-(propan-2-ylamino)pyrrolidine-1-carboxylate;methane
CID 157491543

Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate (CID 83855176) is benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CCN(C(=O)OCc2ccccc2)CC1N.
What is the InChIKey of benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is GBPOPWZTKBWJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)14-8-9-18(10-15(14)17)16(19)20-11-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3.
What are the key properties of benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate?
benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 83855176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).