1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride

C15H22ClNO3 — CID 162332016

IUPAC1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride
SMILESCC(O)CN1CCC(c2ccc3c(c2)OCO3)CC1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-11(17)9-16-6-4-12(5-7-16)13-2-3-14-15(8-13)19-10-18-14;/h2-3,8,11-12,17H,4-7,9-10H2,1H3;1H
InChIKeyAAMIBBIGIHAOSZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.40
Rot. Bonds3

About 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride

1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride (PubChem CID 162332016) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride
PubChem CID162332016
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride
SMILESCC(O)CN1CCC(c2ccc3c(c2)OCO3)CC1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-11(17)9-16-6-4-12(5-7-16)13-2-3-14-15(8-13)19-10-18-14;/h2-3,8,11-12,17H,4-7,9-10H2,1H3;1H
InChIKeyAAMIBBIGIHAOSZ-UHFFFAOYSA-N
XLogP2.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propanoic acid
CID 94700040
[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 134064271
2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide
CID 16668006
3-(1,3-benzodioxol-5-ylmethyl)-1-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl]-1-methylurea
CID 97213115
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
1-(1,3-benzodioxol-5-yl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 60979825
(2S)-1-[4-[(1,3-benzodioxol-4-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95275018
3-[1-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 74233774
(2S)-1-[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95274066
5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 15158332
N-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 119114196
1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol
CID 111113951

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride (CID 162332016) is 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride is CC(O)CN1CCC(c2ccc3c(c2)OCO3)CC1.Cl.
What is the InChIKey of 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride?
The InChIKey is AAMIBBIGIHAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-11(17)9-16-6-4-12(5-7-16)13-2-3-14-15(8-13)19-10-18-14;/h2-3,8,11-12,17H,4-7,9-10H2,1H3;1H.
What are the key properties of 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride?
1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 162332016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).