(2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide

C11H23N3O — CID 30031387

IUPAC(2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide
SMILESCC[C@](C)(C(=O)NN)N1CCC[C@@H](C)C1
InChIInChI=1S/C11H23N3O/c1-4-11(3,10(15)13-12)14-7-5-6-9(2)8-14/h9H,4-8,12H2,1-3H3,(H,13,15)/t9-,11-/m1/s1
InChIKeyCDQGYTFIEVCHSY-MWLCHTKSSA-N
MW213.32 g/mol
LogP0.88
Rot. Bonds3

About (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide

(2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide (PubChem CID 30031387) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide.

Molecular Properties

Compound Name(2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide
PubChem CID30031387
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide
SMILESCC[C@](C)(C(=O)NN)N1CCC[C@@H](C)C1
InChIInChI=1S/C11H23N3O/c1-4-11(3,10(15)13-12)14-7-5-6-9(2)8-14/h9H,4-8,12H2,1-3H3,(H,13,15)/t9-,11-/m1/s1
InChIKeyCDQGYTFIEVCHSY-MWLCHTKSSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate
CID 51698816
2-methyl-2-(3-methylpiperidin-1-yl)butan-1-amine
CID 24693649
2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide
CID 79630412
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid
CID 114988645
3-(2-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propanoic acid
CID 84752355
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
3-methylpiperidine-1-carboxamide
CID 16786142
tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
CID 142306619
ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate
CID 60569016
2-ethyl-2-[(3-methylpiperidin-1-yl)methyl]butanoic acid
CID 62271358
1-cyclohexyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide?
The IUPAC name of (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide (CID 30031387) is (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide.
What is the SMILES notation for (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide?
The canonical SMILES for (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide is CC[C@](C)(C(=O)NN)N1CCC[C@@H](C)C1.
What is the InChIKey of (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide?
The InChIKey is CDQGYTFIEVCHSY-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-11(3,10(15)13-12)14-7-5-6-9(2)8-14/h9H,4-8,12H2,1-3H3,(H,13,15)/t9-,11-/m1/s1.
What are the key properties of (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide?
(2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide has a molecular weight of 213.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanehydrazide is sourced from PubChem (CID 30031387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).