1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine

C14H22ClN3O — CID 106589169

IUPAC1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(N2CCCC(COC)C2)ccc1Cl
InChIInChI=1S/C14H22ClN3O/c1-16-8-13-12(15)5-6-14(17-13)18-7-3-4-11(9-18)10-19-2/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyQFLAWOJDBFZEOC-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.32
Rot. Bonds5

About 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine (PubChem CID 106589169) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine
PubChem CID106589169
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(N2CCCC(COC)C2)ccc1Cl
InChIInChI=1S/C14H22ClN3O/c1-16-8-13-12(15)5-6-14(17-13)18-7-3-4-11(9-18)10-19-2/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyQFLAWOJDBFZEOC-UHFFFAOYSA-N
XLogP2.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63169284
1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63168757
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228582
1-[2-[3-(methoxymethyl)piperidin-1-yl]-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 106589223
3-chloro-2-(chloromethyl)-6-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 63972353
3-chloro-2-(chloromethyl)-6-(3-methoxypiperidin-1-yl)pyridine
CID 102965992
2,6-bis[(3S)-3-(methoxymethyl)piperidin-1-yl]-3-nitropyridine
CID 99794916
1-[3-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63003835
[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]methanol
CID 106588319
N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
N-[[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589167
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine (CID 106589169) is 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine is CNCc1nc(N2CCCC(COC)C2)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is QFLAWOJDBFZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-16-8-13-12(15)5-6-14(17-13)18-7-3-4-11(9-18)10-19-2/h5-6,11,16H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 283.80 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 106589169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).