methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride

C15H23ClN2O2 — CID 56832345

IUPACmethyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
SMILESCOC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12-8-9-17(10-13-6-4-3-5-7-13)11-14(12)16-15(18)19-2;/h3-7,12,14H,8-11H2,1-2H3,(H,16,18);1H/t12-,14+;/m0./s1
InChIKeyHIBZBVJEHDKCNZ-DSHXVJGRSA-N
MW298.81 g/mol
LogP2.67
Rot. Bonds3

About methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride

methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride (PubChem CID 56832345) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
PubChem CID56832345
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Namemethyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
SMILESCOC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-12-8-9-17(10-13-6-4-3-5-7-13)11-14(12)16-15(18)19-2;/h3-7,12,14H,8-11H2,1-2H3,(H,16,18);1H/t12-,14+;/m0./s1
InChIKeyHIBZBVJEHDKCNZ-DSHXVJGRSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
(2R,3R)-2,3-dibenzoyloxybutanedioic acid;methyl N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]carbamate;propan-2-ol
CID 164977520
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid
CID 175597932
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3S,4S)-1-benzyl-4-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 86587101
tert-butyl N-[(3R,4R)-1-benzyl-4-(2-fluoroethyl)piperidin-3-yl]carbamate
CID 20599298
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
CID 98773554
N-[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000354
tert-butyl N-[(3S,4R)-1-benzyl-3-cyanopiperidin-4-yl]carbamate
CID 155294397

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride?
The IUPAC name of methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride (CID 56832345) is methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride.
What is the SMILES notation for methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride?
The canonical SMILES for methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride is COC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C.Cl.
What is the InChIKey of methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride?
The InChIKey is HIBZBVJEHDKCNZ-DSHXVJGRSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-12-8-9-17(10-13-6-4-3-5-7-13)11-14(12)16-15(18)19-2;/h3-7,12,14H,8-11H2,1-2H3,(H,16,18);1H/t12-,14+;/m0./s1.
What are the key properties of methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride?
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride is sourced from PubChem (CID 56832345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).