2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol

C16H27N3O2 — CID 95273059

IUPAC2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC2CCN(C[C@H](C)O)CC2)n1
InChIInChI=1S/C16H27N3O2/c1-12-3-4-16(21)15(18-12)10-17-9-14-5-7-19(8-6-14)11-13(2)20/h3-4,13-14,17,20-21H,5-11H2,1-2H3/t13-/m0/s1
InChIKeyUKEFUVADNUUVCA-ZDUSSCGKSA-N
MW293.41 g/mol
LogP1.28
Rot. Bonds6

About 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol

2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 95273059) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID95273059
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCC2CCN(C[C@H](C)O)CC2)n1
InChIInChI=1S/C16H27N3O2/c1-12-3-4-16(21)15(18-12)10-17-9-14-5-7-19(8-6-14)11-13(2)20/h3-4,13-14,17,20-21H,5-11H2,1-2H3/t13-/m0/s1
InChIKeyUKEFUVADNUUVCA-ZDUSSCGKSA-N
XLogP1.28
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol with MolForge

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Related Compounds

Pirbuterol
CID 4845
Pirbuterol monohydrochloride
CID 3061720
Mls002693808
CID 251943
Pirbuterol Hydrochloride
CID 68658
Pirbuterol, (R)-
CID 3246659
2-tert-Butyl-6-morpholin-4-ylmethyl-pyridin-3-ol
CID 6602670
2-[(1-Adamantylmethylamino)methyl]-6-methyl-pyridin-3-ol
CID 118725727
6-(7-Hydroxydodecyl)-2-methylpyridin-3-ol
CID 57379202
6-(8-Hydroxydodecyl)-2-methylpyridin-3-ol
CID 57379203
12-(5-Hydroxy-6-methyl-2-pyridinyl)dodecane-1,6-diol
CID 57382622
2,6-Bis((dimethylamino)methyl)-3-pyridinol
CID 252256
5-Hydroxy-2-(1-hydroxy-2-tert-butylaminoethyl)-pyridine
CID 12397272

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol (CID 95273059) is 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCC2CCN(C[C@H](C)O)CC2)n1.
What is the InChIKey of 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is UKEFUVADNUUVCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12-3-4-16(21)15(18-12)10-17-9-14-5-7-19(8-6-14)11-13(2)20/h3-4,13-14,17,20-21H,5-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol?
2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 293.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 95273059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).