4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol

C22H30N4O — CID 46954560

IUPAC4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCc1ccccc1C1(O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C22H30N4O/c1-18-7-3-4-8-20(18)22(27)9-13-25(14-10-22)17-19-15-23-21(24-16-19)26-11-5-2-6-12-26/h3-4,7-8,15-16,27H,2,5-6,9-14,17H2,1H3
InChIKeyXLMFUJCTRDUUSM-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.26
Rot. Bonds4

About 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol

4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol (PubChem CID 46954560) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
PubChem CID46954560
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESCc1ccccc1C1(O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C22H30N4O/c1-18-7-3-4-8-20(18)22(27)9-13-25(14-10-22)17-19-15-23-21(24-16-19)26-11-5-2-6-12-26/h3-4,7-8,15-16,27H,2,5-6,9-14,17H2,1H3
InChIKeyXLMFUJCTRDUUSM-UHFFFAOYSA-N
XLogP3.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluorophenyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-ol
CID 16674054
4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 77080425
1'-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
CID 95794064
1-(3-methyl-4-pyridinyl)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1,4-diazepane
CID 70724320
[(4aS,8aS)-1-methyl-7-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135109812
(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
CID 56894068
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylphenyl)piperidin-4-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171672284
2-methyl-3-phenyl-6-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine
CID 154566539
3-[[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 77086540
(3R)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 92567647
1-[[1-(2-methoxyethyl)indol-3-yl]methyl]-4-(2-methylphenyl)piperidin-4-ol
CID 16673153

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol (CID 46954560) is 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol is Cc1ccccc1C1(O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1.
What is the InChIKey of 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The InChIKey is XLMFUJCTRDUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18-7-3-4-8-20(18)22(27)9-13-25(14-10-22)17-19-15-23-21(24-16-19)26-11-5-2-6-12-26/h3-4,7-8,15-16,27H,2,5-6,9-14,17H2,1H3.
What are the key properties of 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol has a molecular weight of 366.51 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 46954560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).