methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate

C19H29N3O2 — CID 50955381

IUPACmethyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2(c3ccc(C)cn3)CCNCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-15-3-4-17(21-13-15)19(7-9-20-10-8-19)14-22-11-5-16(6-12-22)18(23)24-2/h3-4,13,16,20H,5-12,14H2,1-2H3
InChIKeyYONAMVJLZTWHIV-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.90
Rot. Bonds4

About methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate

methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate (PubChem CID 50955381) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate
PubChem CID50955381
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Namemethyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2(c3ccc(C)cn3)CCNCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-15-3-4-17(21-13-15)19(7-9-20-10-8-19)14-22-11-5-16(6-12-22)18(23)24-2/h3-4,13,16,20H,5-12,14H2,1-2H3
InChIKeyYONAMVJLZTWHIV-UHFFFAOYSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate (CID 50955381) is methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC2(c3ccc(C)cn3)CCNCC2)CC1.
What is the InChIKey of methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate?
The InChIKey is YONAMVJLZTWHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-3-4-17(21-13-15)19(7-9-20-10-8-19)14-22-11-5-16(6-12-22)18(23)24-2/h3-4,13,16,20H,5-12,14H2,1-2H3.
What are the key properties of methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate?
methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 50955381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).