benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride

C14H21ClN2O2 — CID 67386202

IUPACbenzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@@H]1C[C@@H](N)CN(C(=O)OCc2ccccc2)C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11-7-13(15)9-16(8-11)14(17)18-10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H/t11-,13-;/m1./s1
InChIKeyONHUQYBMESJGDA-LOCPCMAASA-N
MW284.79 g/mol
LogP2.41
Rot. Bonds2

About benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride

benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride (PubChem CID 67386202) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride
PubChem CID67386202
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Namebenzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@@H]1C[C@@H](N)CN(C(=O)OCc2ccccc2)C1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11-7-13(15)9-16(8-11)14(17)18-10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H/t11-,13-;/m1./s1
InChIKeyONHUQYBMESJGDA-LOCPCMAASA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 44828813
benzyl 3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 158771336
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 3-(bromomethyl)azetidine-1-carboxylate
CID 175662964
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl 3-[(4-methylpiperazin-1-yl)methyl]azetidine-1-carboxylate
CID 146640420
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-methyl-5-oxopiperidine-1-carboxylate
CID 163219670
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate
CID 70961150

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride?
The IUPAC name of benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride (CID 67386202) is benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride is C[C@@H]1C[C@@H](N)CN(C(=O)OCc2ccccc2)C1.Cl.
What is the InChIKey of benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride?
The InChIKey is ONHUQYBMESJGDA-LOCPCMAASA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-11-7-13(15)9-16(8-11)14(17)18-10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H/t11-,13-;/m1./s1.
What are the key properties of benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride?
benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,5R)-3-amino-5-methylpiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 67386202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).