4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol

C18H20N2O3 — CID 653582

IUPAC4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc3c(c2)OCO3)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H20N2O3/c21-18(14-4-5-16-17(11-14)23-13-22-16)6-9-20(10-7-18)12-15-3-1-2-8-19-15/h1-5,8,11,21H,6-7,9-10,12-13H2
InChIKeyZIGPBNGAJFGEMT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.29
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol

4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol (PubChem CID 653582) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol
PubChem CID653582
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc3c(c2)OCO3)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H20N2O3/c21-18(14-4-5-16-17(11-14)23-13-22-16)6-9-20(10-7-18)12-15-3-1-2-8-19-15/h1-5,8,11,21H,6-7,9-10,12-13H2
InChIKeyZIGPBNGAJFGEMT-UHFFFAOYSA-N
XLogP2.29
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-Methylenedioxybenzylidene)anabaseine
CID 10356987
4-[5-(1,3-Benzodioxol-5-ylmethylamino)-3-pyridinyl]phenol
CID 11551495
7-Benzo[1,3]dioxol-5-yl-7-pyridin-3-yl-hept-6-enoic acid
CID 13285831
(Z)-7-Benzo[1,3]dioxol-5-yl-7-pyridin-3-yl-hept-6-enoic acid
CID 13285832
2-methoxy-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
CID 136016516
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(2-pyridinylmethyl)ethanamine
CID 1131786
3-[1-(1,3-Benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 2857326
7-[2-[(2S)-oxan-2-yl]oxyethyl]-[1,3]dioxolo[4,5-g]isoquinoline
CID 25058395
2-methoxy-5-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
CID 46837515
3-(1,3-Benzodioxol-5-yl)-5-methyl-5-pyridin-2-yl-1,4,2-dioxazole
CID 54578710
N'-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl]-N-cyanopyridine-2-carboximidamide
CID 56971264
6-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-pyridin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 164624115

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol (CID 653582) is 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol is OC1(c2ccc3c(c2)OCO3)CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol?
The InChIKey is ZIGPBNGAJFGEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(14-4-5-16-17(11-14)23-13-22-16)6-9-20(10-7-18)12-15-3-1-2-8-19-15/h1-5,8,11,21H,6-7,9-10,12-13H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol?
4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol has a molecular weight of 312.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 653582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).