ethane;methyl 3-(methylamino)piperidine-4-carboxylate

C10H22N2O2 — CID 91482609

IUPACethane;methyl 3-(methylamino)piperidine-4-carboxylate
SMILESCC.CNC1CNCCC1C(=O)OC
InChIInChI=1S/C8H16N2O2.C2H6/c1-9-7-5-10-4-3-6(7)8(11)12-2;1-2/h6-7,9-10H,3-5H2,1-2H3;1-2H3
InChIKeyVAEBCQUBBHGOKF-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.38
Rot. Bonds2

About ethane;methyl 3-(methylamino)piperidine-4-carboxylate

ethane;methyl 3-(methylamino)piperidine-4-carboxylate (PubChem CID 91482609) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;methyl 3-(methylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 3-(methylamino)piperidine-4-carboxylate
PubChem CID91482609
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethane;methyl 3-(methylamino)piperidine-4-carboxylate
SMILESCC.CNC1CNCCC1C(=O)OC
InChIInChI=1S/C8H16N2O2.C2H6/c1-9-7-5-10-4-3-6(7)8(11)12-2;1-2/h6-7,9-10H,3-5H2,1-2H3;1-2H3
InChIKeyVAEBCQUBBHGOKF-UHFFFAOYSA-N
XLogP0.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S,4R)-3-fluoropiperidine-4-carboxylate
CID 97289441
methyl 3-fluoropiperidine-4-carboxylate
CID 72698267
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride
CID 84720949
3-O-methyl 4-O-prop-2-enyl (3R,4R)-piperidine-3,4-dicarboxylate
CID 66953049
methyl 4-methylpiperidine-3-carboxylate
CID 45043143
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 154810489
methyl pyrrolidine-3-carboxylate
CID 4114360
N-methoxy-3-methylpiperidine-4-carboxamide
CID 130516234
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
methyl 2-acetamidocyclobutane-1-carboxylate
CID 163622472
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride
CID 67295221

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-(methylamino)piperidine-4-carboxylate?
The IUPAC name of ethane;methyl 3-(methylamino)piperidine-4-carboxylate (CID 91482609) is ethane;methyl 3-(methylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethane;methyl 3-(methylamino)piperidine-4-carboxylate?
The canonical SMILES for ethane;methyl 3-(methylamino)piperidine-4-carboxylate is CC.CNC1CNCCC1C(=O)OC.
What is the InChIKey of ethane;methyl 3-(methylamino)piperidine-4-carboxylate?
The InChIKey is VAEBCQUBBHGOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H6/c1-9-7-5-10-4-3-6(7)8(11)12-2;1-2/h6-7,9-10H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-(methylamino)piperidine-4-carboxylate?
ethane;methyl 3-(methylamino)piperidine-4-carboxylate has a molecular weight of 202.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-(methylamino)piperidine-4-carboxylate is sourced from PubChem (CID 91482609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).