methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate

C15H22N2O2 — CID 58075022

IUPACmethyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](NCc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-12-11-17(15(18)19-2)9-8-14(12)16-10-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyGOLVFMUERFMGQF-GXTWGEPZSA-N
MW262.35 g/mol
LogP2.25
Rot. Bonds3

About methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate

methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate (PubChem CID 58075022) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate
PubChem CID58075022
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](NCc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C15H22N2O2/c1-12-11-17(15(18)19-2)9-8-14(12)16-10-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3/t12-,14+/m0/s1
InChIKeyGOLVFMUERFMGQF-GXTWGEPZSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate 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

1-[(4R,5S)-4-(benzylamino)-5-methylazepan-1-yl]ethanone
CID 131729150
methyl (3S,4R)-4-anilino-3-methylpiperidine-1-carboxylate
CID 125483036
benzyl (3R,4R)-4-anilino-3-methylpiperidine-1-carboxylate
CID 14987150
cyclopropyl-[(3R,4R)-4-[(4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 97024595
(3S,4R)-4-(benzylamino)piperidine-1,3-dicarboxylic acid
CID 90844660
tert-butyl (3R,4S)-4-(benzylamino)-3-propan-2-yloxypiperidine-1-carboxylate
CID 86648684
1-[(3R,4S)-4-[[3-(2-methoxyethoxy)phenyl]methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093572
(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 67928795
1-[(3R,4R)-4-[(4-bromophenyl)methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 97025004
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one
CID 114498565
1-[(3R,4R)-4-[[4-(azepan-1-yl)phenyl]methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093520
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate?
The IUPAC name of methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate (CID 58075022) is methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate is COC(=O)N1CC[C@@H](NCc2ccccc2)[C@@H](C)C1.
What is the InChIKey of methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate?
The InChIKey is GOLVFMUERFMGQF-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-11-17(15(18)19-2)9-8-14(12)16-10-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate?
methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 58075022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).