[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol

C25H28N2O2 — CID 127026390

IUPAC[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol
SMILESCc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C25H28N2O2/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(16-28)5-9-21)14-23(15-27-25)29-17-20-10-12-26-13-11-20/h2-9,14-15,20,26,28H,10-13,16-17H2,1H3
InChIKeyXMDKHHYDZUATHI-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.59
Rot. Bonds6

About [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol

[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol (PubChem CID 127026390) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol
PubChem CID127026390
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol
SMILESCc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(CO)cc2)cc1
InChIInChI=1S/C25H28N2O2/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(16-28)5-9-21)14-23(15-27-25)29-17-20-10-12-26-13-11-20/h2-9,14-15,20,26,28H,10-13,16-17H2,1H3
InChIKeyXMDKHHYDZUATHI-UHFFFAOYSA-N
XLogP4.59
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methyl]morpholine
CID 127024905
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenol
CID 164624109
2-[6-(piperidin-4-ylmethoxy)naphthalen-2-yl]ethanol
CID 170887467
2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride
CID 141382248
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
2-bromo-5-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 118109642
4-[5-(4-methylphenyl)-2-(piperidin-4-ylmethyl)pyrimidin-4-yl]benzonitrile
CID 147805770
2-phenyl-5-(piperidin-4-ylmethoxy)pyridine
CID 127025530
2,3-dimethyl-6-(piperidin-4-ylmethoxy)quinoxaline
CID 82189775
[3-(cyclopropylmethoxy)-5-(hydroxymethyl)phenyl]methyl 4-methylbenzenesulfonate
CID 135563802
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol (CID 127026390) is [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol is Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol?
The InChIKey is XMDKHHYDZUATHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(16-28)5-9-21)14-23(15-27-25)29-17-20-10-12-26-13-11-20/h2-9,14-15,20,26,28H,10-13,16-17H2,1H3.
What are the key properties of [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol?
[4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol has a molecular weight of 388.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 127026390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).