(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid

C18H28N2O6 — CID 175597932

IUPAC(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid
SMILESCN[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C14H22N2.C4H6O6/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;5-1(3(7)8)2(6)4(9)10/h3-7,12,14-15H,8-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-,14+;/m0./s1
InChIKeyKFXCOZWNFNYMSC-DSHXVJGRSA-N
MW368.43 g/mol
LogP-0.01
Rot. Bonds6

About (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid

(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid (PubChem CID 175597932) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid
PubChem CID175597932
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid
SMILESCN[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C14H22N2.C4H6O6/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;5-1(3(7)8)2(6)4(9)10/h3-7,12,14-15H,8-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-,14+;/m0./s1
InChIKeyKFXCOZWNFNYMSC-DSHXVJGRSA-N
XLogP-0.01
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid 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
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345
bis((3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine);(2S,3R)-3-hydroxy-2-(4-methylbenzoyl)-2-(4-methylbenzoyl)oxybutanedioic acid
CID 67295181
(2R,3R)-2,3-dibenzoyloxybutanedioic acid;methyl N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]carbamate;propan-2-ol
CID 164977520
methyl 2-[(3S,4S)-1-benzyl-3-(methylamino)piperidin-4-yl]acetate
CID 59110298
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
CID 136512736
2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol
CID 75444912
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
N-(1-benzyl-4-methylpiperidin-3-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 126830322
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid?
The IUPAC name of (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid (CID 175597932) is (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid?
The canonical SMILES for (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid is CN[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid?
The InChIKey is KFXCOZWNFNYMSC-DSHXVJGRSA-N. The full InChI is InChI=1S/C14H22N2.C4H6O6/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;5-1(3(7)8)2(6)4(9)10/h3-7,12,14-15H,8-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-,14+;/m0./s1.
What are the key properties of (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid?
(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid has a molecular weight of 368.43 g/mol, XLogP of -0.01, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 175597932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).