methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate

C14H26N2O2 — CID 115103685

IUPACmethyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCCN(C)C2)CCCCN1
InChIInChI=1S/C14H26N2O2/c1-16-9-5-6-12(11-16)10-14(13(17)18-2)7-3-4-8-15-14/h12,15H,3-11H2,1-2H3
InChIKeyMBGZTWYDQKXOGN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds3

About methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate

methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate (PubChem CID 115103685) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate
PubChem CID115103685
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCCN(C)C2)CCCCN1
InChIInChI=1S/C14H26N2O2/c1-16-9-5-6-12(11-16)10-14(13(17)18-2)7-3-4-8-15-14/h12,15H,3-11H2,1-2H3
InChIKeyMBGZTWYDQKXOGN-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103188
methyl 2-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103541
methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 115103207
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
methyl 2-[(1-propan-2-ylpiperidin-2-yl)methyl]piperidine-2-carboxylate
CID 115103668
methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 115103287
methyl 2-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-2-carboxylate
CID 117272108
methyl 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184300
2-(cyclopropylmethyl)piperidine-2-carboxamide
CID 84658665
methyl (2R)-2-propylpiperidine-2-carboxylate
CID 95169858
2-ethyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 83071438
2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 115103189

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate (CID 115103685) is methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate is COC(=O)C1(CC2CCCN(C)C2)CCCCN1.
What is the InChIKey of methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate?
The InChIKey is MBGZTWYDQKXOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16-9-5-6-12(11-16)10-14(13(17)18-2)7-3-4-8-15-14/h12,15H,3-11H2,1-2H3.
What are the key properties of methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate?
methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 115103685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).