methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen

C16H33NO2 — CID 178134303

IUPACmethyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen
SMILESCCCC[C@]1(C(=O)OC)CNCC(CC(C)(C)C)C1.[H][H]
InChIInChI=1S/C16H31NO2.H2/c1-6-7-8-16(14(18)19-5)10-13(11-17-12-16)9-15(2,3)4;/h13,17H,6-12H2,1-5H3;1H/t13?,16-;/m1./s1
InChIKeyWXECEIAGESNFNQ-SJECBDQJSA-N
MW271.44 g/mol
LogP3.63
Rot. Bonds5

About methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen

methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen (PubChem CID 178134303) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namemethyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen
PubChem CID178134303
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Namemethyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen
SMILESCCCC[C@]1(C(=O)OC)CNCC(CC(C)(C)C)C1.[H][H]
InChIInChI=1S/C16H31NO2.H2/c1-6-7-8-16(14(18)19-5)10-13(11-17-12-16)9-15(2,3)4;/h13,17H,6-12H2,1-5H3;1H/t13?,16-;/m1./s1
InChIKeyWXECEIAGESNFNQ-SJECBDQJSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-5-(2,2-dimethylpropyl)-3-(2-methoxyethyl)piperidine-3-carboxylate;molecular hydrogen
CID 178133379
methyl 3-(fluoromethyl)azetidine-3-carboxylate;hydrochloride
CID 170913019
methyl (3R,5S)-3-(cyclopropylmethyl)-5-propan-2-ylpiperidine-3-carboxylate
CID 178133241
[1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
CID 175173209
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446
methyl (3S,5S)-5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxylate
CID 178134234
dimethyl 2-[(E)-4,4-dimethyl-3-oxooct-1-enyl]cyclopropane-1,1-dicarboxylate
CID 21328860
methyl (3R)-3-(4,4-difluorobutyl)piperidine-3-carboxylate
CID 178133958
methyl 2-butyloxirane-2-carboxylate
CID 18471262
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
CID 178133237
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen?
The IUPAC name of methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen (CID 178134303) is methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen.
What is the SMILES notation for methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen?
The canonical SMILES for methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen is CCCC[C@]1(C(=O)OC)CNCC(CC(C)(C)C)C1.[H][H].
What is the InChIKey of methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen?
The InChIKey is WXECEIAGESNFNQ-SJECBDQJSA-N. The full InChI is InChI=1S/C16H31NO2.H2/c1-6-7-8-16(14(18)19-5)10-13(11-17-12-16)9-15(2,3)4;/h13,17H,6-12H2,1-5H3;1H/t13?,16-;/m1./s1.
What are the key properties of methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen?
methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen has a molecular weight of 271.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen is sourced from PubChem (CID 178134303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).