[4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol

C19H24ClN3O2 — CID 142380150

IUPAC[4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
SMILESCc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cc1C
InChIInChI=1S/C19H24ClN3O2/c1-12-4-5-16(10-13(12)2)25-15-6-8-23(9-7-15)19-14(3)18(20)21-17(11-24)22-19/h4-5,10,15,24H,6-9,11H2,1-3H3
InChIKeyVTWDHTOMSDHOIW-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.60
Rot. Bonds4

About [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol

[4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol (PubChem CID 142380150) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
PubChem CID142380150
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name[4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
SMILESCc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cc1C
InChIInChI=1S/C19H24ClN3O2/c1-12-4-5-16(10-13(12)2)25-15-6-8-23(9-7-15)19-14(3)18(20)21-17(11-24)22-19/h4-5,10,15,24H,6-9,11H2,1-3H3
InChIKeyVTWDHTOMSDHOIW-UHFFFAOYSA-N
XLogP3.60
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-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

[4-chloro-5-methyl-6-[4-(1-methylindol-5-yl)oxypiperidin-1-yl]pyrimidin-2-yl]methanol
CID 135154866
7-[1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]piperidin-4-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
CID 135171035
7-[1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]piperidin-4-yl]oxy-2-methyl-3,4-dihydroisoquinolin-1-one
CID 135171381
4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
CID 135154119
[4-chloro-6-[(3R,4S)-3-fluoro-4-(1-methylindazol-5-yl)oxypiperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
CID 139581399
6-[(3S,4R)-1-[6-chloro-2-(hydroxymethyl)-5-methylpyrimidin-4-yl]-3-fluoropiperidin-4-yl]oxy-2-methyl-3H-isoindol-1-one
CID 135171379
6-[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]oxy-3,4-dihydro-2H-1,4-benzoxazine
CID 142386880
[1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297387
4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 86808264
2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1,3-benzoxazole
CID 71891792
2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277559
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881

Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol (CID 142380150) is [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol is Cc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cc1C.
What is the InChIKey of [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The InChIKey is VTWDHTOMSDHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-12-4-5-16(10-13(12)2)25-15-6-8-23(9-7-15)19-14(3)18(20)21-17(11-24)22-19/h4-5,10,15,24H,6-9,11H2,1-3H3.
What are the key properties of [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
[4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol has a molecular weight of 361.87 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 142380150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).