1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol

C13H20N2O2 — CID 114502539

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
SMILESCOc1ncccc1CN1CCC(O)C(C)C1
InChIInChI=1S/C13H20N2O2/c1-10-8-15(7-5-12(10)16)9-11-4-3-6-14-13(11)17-2/h3-4,6,10,12,16H,5,7-9H2,1-2H3
InChIKeyNHICLBPLSQCEFV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.29
Rot. Bonds3

About 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol

1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114502539) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
PubChem CID114502539
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
SMILESCOc1ncccc1CN1CCC(O)C(C)C1
InChIInChI=1S/C13H20N2O2/c1-10-8-15(7-5-12(10)16)9-11-4-3-6-14-13(11)17-2/h3-4,6,10,12,16H,5,7-9H2,1-2H3
InChIKeyNHICLBPLSQCEFV-UHFFFAOYSA-N
XLogP1.29
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 114800698
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
(2R,3aR,7aS)-5-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 124831403
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
(4S,9aR)-8-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155909707
[3-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]oxyboronic acid
CID 175955864
1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
CID 114677852
2-[(2-methoxy-3-pyridinyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115965
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
CID 82701884

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol (CID 114502539) is 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol is COc1ncccc1CN1CCC(O)C(C)C1.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is NHICLBPLSQCEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-8-15(7-5-12(10)16)9-11-4-3-6-14-13(11)17-2/h3-4,6,10,12,16H,5,7-9H2,1-2H3.
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol?
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 236.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114502539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).