[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol

C11H16ClN3O — CID 86329185

IUPAC[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
SMILESCc1cc(Cl)nc(N2CCC[C@H](CO)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-8-5-10(12)14-11(13-8)15-4-2-3-9(6-15)7-16/h5,9,16H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyCPDCKNXDNOYVJR-VIFPVBQESA-N
MW241.72 g/mol
LogP1.65
Rot. Bonds2

About [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol

[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol (PubChem CID 86329185) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
PubChem CID86329185
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
SMILESCc1cc(Cl)nc(N2CCC[C@H](CO)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-8-5-10(12)14-11(13-8)15-4-2-3-9(6-15)7-16/h5,9,16H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyCPDCKNXDNOYVJR-VIFPVBQESA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-ethyl-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 69451869
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-amine;hydrochloride
CID 71638450
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
CID 113378557
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
2-(3-chloropiperidin-1-yl)-4,6-dimethylpyrimidine
CID 63391936
[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 170307917
[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol
CID 81050851
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
CID 102750420
[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 71634268

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol (CID 86329185) is [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol is Cc1cc(Cl)nc(N2CCC[C@H](CO)C2)n1.
What is the InChIKey of [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol?
The InChIKey is CPDCKNXDNOYVJR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-5-10(12)14-11(13-8)15-4-2-3-9(6-15)7-16/h5,9,16H,2-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol?
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol has a molecular weight of 241.72 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 86329185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).