[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol

C25H29N3O — CID 67421095

IUPAC[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol
SMILESCc1cccnc1C1CCCC(c2ncccc2C)N1Cc1ccccc1CO
InChIInChI=1S/C25H29N3O/c1-18-8-6-14-26-24(18)22-12-5-13-23(25-19(2)9-7-15-27-25)28(22)16-20-10-3-4-11-21(20)17-29/h3-4,6-11,14-15,22-23,29H,5,12-13,16-17H2,1-2H3
InChIKeyJMKUAIPRHDRGJL-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.05
Rot. Bonds5

About [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol

[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 67421095) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol
PubChem CID67421095
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol
SMILESCc1cccnc1C1CCCC(c2ncccc2C)N1Cc1ccccc1CO
InChIInChI=1S/C25H29N3O/c1-18-8-6-14-26-24(18)22-12-5-13-23(25-19(2)9-7-15-27-25)28(22)16-20-10-3-4-11-21(20)17-29/h3-4,6-11,14-15,22-23,29H,5,12-13,16-17H2,1-2H3
InChIKeyJMKUAIPRHDRGJL-UHFFFAOYSA-N
XLogP5.05
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol (CID 67421095) is [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol is Cc1cccnc1C1CCCC(c2ncccc2C)N1Cc1ccccc1CO.
What is the InChIKey of [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is JMKUAIPRHDRGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-8-6-14-26-24(18)22-12-5-13-23(25-19(2)9-7-15-27-25)28(22)16-20-10-3-4-11-21(20)17-29/h3-4,6-11,14-15,22-23,29H,5,12-13,16-17H2,1-2H3.
What are the key properties of [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol?
[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 387.53 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 67421095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).