[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate

C12H17N3O2 — CID 174191038

IUPAC[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
SMILESC[C@H]1CCCCN1c1ccc(OC(N)=O)cn1
InChIInChI=1S/C12H17N3O2/c1-9-4-2-3-7-15(9)11-6-5-10(8-14-11)17-12(13)16/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16)/t9-/m0/s1
InChIKeyOQMKAPJNLBIYIG-VIFPVBQESA-N
MW235.29 g/mol
LogP1.92
Rot. Bonds2

About [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate

[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate (PubChem CID 174191038) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
PubChem CID174191038
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
SMILESC[C@H]1CCCCN1c1ccc(OC(N)=O)cn1
InChIInChI=1S/C12H17N3O2/c1-9-4-2-3-7-15(9)11-6-5-10(8-14-11)17-12(13)16/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16)/t9-/m0/s1
InChIKeyOQMKAPJNLBIYIG-VIFPVBQESA-N
XLogP1.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
CID 61255734
[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
CID 170319554
4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034790
phenyl N-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 170781349
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697
(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide
CID 99857708
2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80632973
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076
N-(4-ethoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335735

Frequently Asked Questions

What is the IUPAC name of [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate?
The IUPAC name of [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate (CID 174191038) is [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate.
What is the SMILES notation for [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate?
The canonical SMILES for [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate is C[C@H]1CCCCN1c1ccc(OC(N)=O)cn1.
What is the InChIKey of [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate?
The InChIKey is OQMKAPJNLBIYIG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-4-2-3-7-15(9)11-6-5-10(8-14-11)17-12(13)16/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16)/t9-/m0/s1.
What are the key properties of [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate?
[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate has a molecular weight of 235.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate is sourced from PubChem (CID 174191038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).