[2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine

C16H27N3O — CID 106589236

IUPAC[2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine
SMILESCOCC1CCCN(c2cc(CN)cc(C(C)C)n2)C1
InChIInChI=1S/C16H27N3O/c1-12(2)15-7-14(9-17)8-16(18-15)19-6-4-5-13(10-19)11-20-3/h7-8,12-13H,4-6,9-11,17H2,1-3H3
InChIKeyBBWUEVHMECOUFD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds5

About [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine

[2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine (PubChem CID 106589236) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine
PubChem CID106589236
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine
SMILESCOCC1CCCN(c2cc(CN)cc(C(C)C)n2)C1
InChIInChI=1S/C16H27N3O/c1-12(2)15-7-14(9-17)8-16(18-15)19-6-4-5-13(10-19)11-20-3/h7-8,12-13H,4-6,9-11,17H2,1-3H3
InChIKeyBBWUEVHMECOUFD-UHFFFAOYSA-N
XLogP2.53
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylpyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 113381419
[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 103539567
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136822001
1-[2-[3-(methoxymethyl)piperidin-1-yl]-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 106589223
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 106588148
2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yloxypyrazine
CID 86797731
[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]methanol
CID 106588319
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine?
The IUPAC name of [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine (CID 106589236) is [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine?
The canonical SMILES for [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine is COCC1CCCN(c2cc(CN)cc(C(C)C)n2)C1.
What is the InChIKey of [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine?
The InChIKey is BBWUEVHMECOUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)15-7-14(9-17)8-16(18-15)19-6-4-5-13(10-19)11-20-3/h7-8,12-13H,4-6,9-11,17H2,1-3H3.
What are the key properties of [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine?
[2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yl-4-pyridinyl]methanamine is sourced from PubChem (CID 106589236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).