methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate

C15H28N2O2 — CID 115103333

IUPACmethyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCCN(C(C)C)C2)CCCN1
InChIInChI=1S/C15H28N2O2/c1-12(2)17-9-4-6-13(11-17)10-15(14(18)19-3)7-5-8-16-15/h12-13,16H,4-11H2,1-3H3
InChIKeyYSRLEWIEDCVNSV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate

methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 115103333) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID115103333
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCCN(C(C)C)C2)CCCN1
InChIInChI=1S/C15H28N2O2/c1-12(2)17-9-4-6-13(11-17)10-15(14(18)19-3)7-5-8-16-15/h12-13,16H,4-11H2,1-3H3
InChIKeyYSRLEWIEDCVNSV-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103685
methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103188
methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 115103207
methyl 2-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103541
methyl 2-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 115103232
methyl 2-[(1-propan-2-ylpiperidin-2-yl)methyl]piperidine-2-carboxylate
CID 115103668
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
CID 115103561
methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 115103287
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103178
4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 120645530
methyl 2-methyl-4-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-2-carboxylate
CID 117269976
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate (CID 115103333) is methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1(CC2CCCN(C(C)C)C2)CCCN1.
What is the InChIKey of methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is YSRLEWIEDCVNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)17-9-4-6-13(11-17)10-15(14(18)19-3)7-5-8-16-15/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate?
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115103333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).