benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate

C19H23N3O2 — CID 102539733

IUPACbenzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
SMILESCNc1ccc(C2CCCCN2C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C19H23N3O2/c1-20-18-11-10-16(13-21-18)17-9-5-6-12-22(17)19(23)24-14-15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3,(H,20,21)
InChIKeyYTSXVJPULKNENC-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.99
Rot. Bonds4

About benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate

benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 102539733) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
PubChem CID102539733
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namebenzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
SMILESCNc1ccc(C2CCCCN2C(=O)OCc2ccccc2)cn1
InChIInChI=1S/C19H23N3O2/c1-20-18-11-10-16(13-21-18)17-9-5-6-12-22(17)19(23)24-14-15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3,(H,20,21)
InChIKeyYTSXVJPULKNENC-UHFFFAOYSA-N
XLogP3.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(6-tert-butylsulfanyl-3-pyridinyl)piperidine-1-carboxylate
CID 102542217
benzyl 2-[6-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]piperidine-1-carboxylate
CID 102541138
2-fluoro-4-(1-phenylmethoxycarbonylpyrrolidin-2-yl)benzoic acid
CID 66621304
benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132
benzyl 2-(3-fluoro-4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 66621283
benzyl 2-[6-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540832
tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540049
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl (2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 59548510
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
benzyl 2-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102542994
benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate (CID 102539733) is benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate is CNc1ccc(C2CCCCN2C(=O)OCc2ccccc2)cn1.
What is the InChIKey of benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is YTSXVJPULKNENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-20-18-11-10-16(13-21-18)17-9-5-6-12-22(17)19(23)24-14-15-7-3-2-4-8-15/h2-4,7-8,10-11,13,17H,5-6,9,12,14H2,1H3,(H,20,21).
What are the key properties of benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate?
benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 102539733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).