methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate

C15H28N2O2 — CID 80711675

IUPACmethyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCC1CCCCN1C
InChIInChI=1S/C15H28N2O2/c1-16-10-5-3-7-13(16)9-12-17-11-6-4-8-14(17)15(18)19-2/h13-14H,3-12H2,1-2H3/t13?,14-/m1/s1
InChIKeyMAKPWBBFJZUCNB-ARLHGKGLSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds4

About methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate (PubChem CID 80711675) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
PubChem CID80711675
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CCC1CCCCN1C
InChIInChI=1S/C15H28N2O2/c1-16-10-5-3-7-13(16)9-12-17-11-6-4-8-14(17)15(18)19-2/h13-14H,3-12H2,1-2H3/t13?,14-/m1/s1
InChIKeyMAKPWBBFJZUCNB-ARLHGKGLSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid
CID 43441253
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-2-carboxylate
CID 104891377

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate (CID 80711675) is methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CCC1CCCCN1C.
What is the InChIKey of methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate?
The InChIKey is MAKPWBBFJZUCNB-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-10-5-3-7-13(16)9-12-17-11-6-4-8-14(17)15(18)19-2/h13-14H,3-12H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 80711675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).