methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate

C16H30N2O2 — CID 117258285

IUPACmethyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(C2CCN(C(C)C)CC2)CCN1
InChIInChI=1S/C16H30N2O2/c1-12(2)18-9-6-13(7-10-18)14-5-8-17-16(3,11-14)15(19)20-4/h12-14,17H,5-11H2,1-4H3
InChIKeyUQHDVKONMSMECX-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds3

About methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate

methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate (PubChem CID 117258285) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate
PubChem CID117258285
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(C2CCN(C(C)C)CC2)CCN1
InChIInChI=1S/C16H30N2O2/c1-12(2)18-9-6-13(7-10-18)14-5-8-17-16(3,11-14)15(19)20-4/h12-14,17H,5-11H2,1-4H3
InChIKeyUQHDVKONMSMECX-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylate
CID 117269892
methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 117269976
[2-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanol
CID 117258456
methyl 2-methyl-4-(thian-4-yl)pyrrolidine-2-carboxylate
CID 117269877
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
methyl 4-(2-methoxyethyl)-2-methylpiperidine-2-carboxylate
CID 117258237
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
methyl 2-methyl-4-(thiolan-2-yl)pyrrolidine-2-carboxylate
CID 117269988
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534
methyl (2R,4R)-4-fluoro-2-methylpyrrolidine-2-carboxylate
CID 125448955
methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60797308
methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 115103232

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate (CID 117258285) is methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate is COC(=O)C1(C)CC(C2CCN(C(C)C)CC2)CCN1.
What is the InChIKey of methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate?
The InChIKey is UQHDVKONMSMECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)18-9-6-13(7-10-18)14-5-8-17-16(3,11-14)15(19)20-4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate?
methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 117258285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).