[4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol

C13H18N2O3 — CID 117012141

IUPAC[4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C13H18N2O3/c14-13(8-16)3-5-15(6-4-13)10-1-2-11-12(7-10)18-9-17-11/h1-2,7,16H,3-6,8-9,14H2
InChIKeyXAFBYKOZINJRPW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.71
Rot. Bonds2

About [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol

[4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol (PubChem CID 117012141) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
PubChem CID117012141
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
SMILESNC1(CO)CCN(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C13H18N2O3/c14-13(8-16)3-5-15(6-4-13)10-1-2-11-12(7-10)18-9-17-11/h1-2,7,16H,3-6,8-9,14H2
InChIKeyXAFBYKOZINJRPW-UHFFFAOYSA-N
XLogP0.71
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-(1,3-benzodioxol-5-yl)piperidine-4-carbonitrile
CID 117013108
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol
CID 115052226
1-(1,3-benzodioxol-5-yl)piperidine-4-carboxylic acid
CID 59023367
1-(1,3-benzodioxol-5-yl)piperidin-4-one
CID 2728521
[4-amino-1-(4-methylphenyl)azepan-4-yl]methanol
CID 115040445
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-phenylmethanone
CID 113079599
2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane
CID 82537950
1-(1,3-benzodioxol-5-yl)-4-(2-isocyanoethyl)piperazine
CID 3530598
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019827
1-[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]cyclopropan-1-amine
CID 130469853

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol (CID 117012141) is [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol is NC1(CO)CCN(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol?
The InChIKey is XAFBYKOZINJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(8-16)3-5-15(6-4-13)10-1-2-11-12(7-10)18-9-17-11/h1-2,7,16H,3-6,8-9,14H2.
What are the key properties of [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol?
[4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol has a molecular weight of 250.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 117012141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).