4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine

C18H22N2O — CID 90245740

IUPAC4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
SMILESCc1ccc(OC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N2O/c1-15-2-4-17(5-3-15)21-18-8-12-20(13-9-18)14-16-6-10-19-11-7-16/h2-7,10-11,18H,8-9,12-14H2,1H3
InChIKeyINTBDZOUQXRNHS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.43
Rot. Bonds4

About 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine

4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine (PubChem CID 90245740) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
PubChem CID90245740
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
SMILESCc1ccc(OC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N2O/c1-15-2-4-17(5-3-15)21-18-8-12-20(13-9-18)14-16-6-10-19-11-7-16/h2-7,10-11,18H,8-9,12-14H2,1H3
InChIKeyINTBDZOUQXRNHS-UHFFFAOYSA-N
XLogP3.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162340373
2-methyl-5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 118794125
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 58456925
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 58456833
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 72911709
3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
CID 111423473
1-[(4-chlorophenyl)methyl]-4-(4-phenylphenoxy)piperidine
CID 174434003
5-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898672
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine (CID 90245740) is 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine is Cc1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine?
The InChIKey is INTBDZOUQXRNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-2-4-17(5-3-15)21-18-8-12-20(13-9-18)14-16-6-10-19-11-7-16/h2-7,10-11,18H,8-9,12-14H2,1H3.
What are the key properties of 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine?
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 90245740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).