benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride

C14H21ClN2O2 — CID 66670408

IUPACbenzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H/t11-,13+;/m0./s1
InChIKeyQDXRLZBFPKVDHC-STEACBGWSA-N
MW284.79 g/mol
LogP2.56
Rot. Bonds2

About benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride

benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride (PubChem CID 66670408) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride
PubChem CID66670408
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Namebenzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride
SMILESC[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H/t11-,13+;/m0./s1
InChIKeyQDXRLZBFPKVDHC-STEACBGWSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride?
The IUPAC name of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride (CID 66670408) is benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride is C[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.Cl.
What is the InChIKey of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride?
The InChIKey is QDXRLZBFPKVDHC-STEACBGWSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H/t11-,13+;/m0./s1.
What are the key properties of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride?
benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 66670408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).