1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol

C14H23N3O — CID 114677807

IUPAC1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol
SMILESCc1cc(C)c(CN)c(N2CCC(O)C(C)C2)n1
InChIInChI=1S/C14H23N3O/c1-9-6-11(3)16-14(12(9)7-15)17-5-4-13(18)10(2)8-17/h6,10,13,18H,4-5,7-8,15H2,1-3H3
InChIKeyOHMAYRWFXSUTHA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.36
Rot. Bonds2

About 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol

1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol (PubChem CID 114677807) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol
PubChem CID114677807
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol
SMILESCc1cc(C)c(CN)c(N2CCC(O)C(C)C2)n1
InChIInChI=1S/C14H23N3O/c1-9-6-11(3)16-14(12(9)7-15)17-5-4-13(18)10(2)8-17/h6,10,13,18H,4-5,7-8,15H2,1-3H3
InChIKeyOHMAYRWFXSUTHA-UHFFFAOYSA-N
XLogP1.36
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4,6-dimethyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 61175547
2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 114678636
[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61440313
1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 61176874
[4,6-dimethyl-2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 61177074
[2-(3-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 113418483
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61255839
2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107214045
2-(3-tert-butylpyrrolidin-1-yl)-3-(chloromethyl)-4,6-dimethylpyridine
CID 113418487
3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
CID 61256984
1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
CID 114679659
[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methanol
CID 63622827

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol (CID 114677807) is 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol is Cc1cc(C)c(CN)c(N2CCC(O)C(C)C2)n1.
What is the InChIKey of 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol?
The InChIKey is OHMAYRWFXSUTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-6-11(3)16-14(12(9)7-15)17-5-4-13(18)10(2)8-17/h6,10,13,18H,4-5,7-8,15H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol?
1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol has a molecular weight of 249.36 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).