[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol

C32H34N2O3 — CID 166113291

IUPAC[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(CO)CC2)ccc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C32H34N2O3/c1-24-20-28(34-18-16-25(21-35)17-19-34)12-13-29(24)30-14-15-31(36-22-26-8-4-2-5-9-26)33-32(30)37-23-27-10-6-3-7-11-27/h2-15,20,25,35H,16-19,21-23H2,1H3
InChIKeySQUBISDWOONPMQ-UHFFFAOYSA-N
MW494.64 g/mol
LogP6.42
Rot. Bonds9

About [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol

[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol (PubChem CID 166113291) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
PubChem CID166113291
Molecular FormulaC32H34N2O3
Molecular Weight494.64 g/mol
Exact Mass494.26
IUPAC Name[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(CO)CC2)ccc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C32H34N2O3/c1-24-20-28(34-18-16-25(21-35)17-19-34)12-13-29(24)30-14-15-31(36-22-26-8-4-2-5-9-26)33-32(30)37-23-27-10-6-3-7-11-27/h2-15,20,25,35H,16-19,21-23H2,1H3
InChIKeySQUBISDWOONPMQ-UHFFFAOYSA-N
XLogP6.42
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

[(3R)-1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-6-yl]pyrrolidin-3-yl]methanol
CID 170629428
ethyl 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methoxyphenyl]piperidine-4-carboxylate
CID 167463395
[8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 172630476
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine
CID 171491745
[(2R)-4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]morpholin-2-yl]methanol
CID 176885958
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol
CID 170979866
tert-butyl N-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]carbamate
CID 171431395
tert-butyl 4-[[4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 166112889
tert-butyl N-[4-[2-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]ethylamino]cyclohexyl]carbamate
CID 178015431
tert-butyl 3-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]oxyazetidine-1-carboxylate;ethane
CID 177361987
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine
CID 175796163
1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one
CID 170007907

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol (CID 166113291) is [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol is Cc1cc(N2CCC(CO)CC2)ccc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol?
The InChIKey is SQUBISDWOONPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3/c1-24-20-28(34-18-16-25(21-35)17-19-34)12-13-29(24)30-14-15-31(36-22-26-8-4-2-5-9-26)33-32(30)37-23-27-10-6-3-7-11-27/h2-15,20,25,35H,16-19,21-23H2,1H3.
What are the key properties of [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol?
[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol has a molecular weight of 494.64 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methylphenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 166113291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).