1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol

C11H16ClN3O — CID 102956998

IUPAC1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(Cl)nn2)CC1O
InChIInChI=1S/C11H16ClN3O/c1-8-4-5-15(7-10(8)16)6-9-2-3-11(12)14-13-9/h2-3,8,10,16H,4-7H2,1H3
InChIKeyCQMAJWHEXWQAJZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.33
Rot. Bonds2

About 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol

1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol (PubChem CID 102956998) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
PubChem CID102956998
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2ccc(Cl)nn2)CC1O
InChIInChI=1S/C11H16ClN3O/c1-8-4-5-15(7-10(8)16)6-9-2-3-11(12)14-13-9/h2-3,8,10,16H,4-7H2,1H3
InChIKeyCQMAJWHEXWQAJZ-UHFFFAOYSA-N
XLogP1.33
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine
CID 102957006
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-amine
CID 71643836
1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898564
1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol
CID 130965134
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
tert-butyl N-[(3R)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-yl]carbamate
CID 71629139
tert-butyl N-[[(3S)-1-[(6-chloropyridazin-3-yl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 97174709
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
3-chloro-6-[(3-methoxyazetidin-1-yl)methyl]pyridazine
CID 130546911
4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine
CID 104513534
3-chloro-6-(piperazin-1-ylmethyl)pyridazine;hydrochloride
CID 71639868

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol (CID 102956998) is 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol is CC1CCN(Cc2ccc(Cl)nn2)CC1O.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is CQMAJWHEXWQAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-4-5-15(7-10(8)16)6-9-2-3-11(12)14-13-9/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol?
1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 241.72 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102956998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).