1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol

C14H24N2O2 — CID 142554658

IUPAC1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol
SMILESNC1CCN(CC(O)COC2=CCCC=C2)CC1
InChIInChI=1S/C14H24N2O2/c15-12-6-8-16(9-7-12)10-13(17)11-18-14-4-2-1-3-5-14/h2,4-5,12-13,17H,1,3,6-11,15H2
InChIKeyPQJQLJLREBIOPJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.02
Rot. Bonds5

About 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol

1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol (PubChem CID 142554658) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol
PubChem CID142554658
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol
SMILESNC1CCN(CC(O)COC2=CCCC=C2)CC1
InChIInChI=1S/C14H24N2O2/c15-12-6-8-16(9-7-12)10-13(17)11-18-14-4-2-1-3-5-14/h2,4-5,12-13,17H,1,3,6-11,15H2
InChIKeyPQJQLJLREBIOPJ-UHFFFAOYSA-N
XLogP1.02
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol (CID 142554658) is 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol is NC1CCN(CC(O)COC2=CCCC=C2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol?
The InChIKey is PQJQLJLREBIOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c15-12-6-8-16(9-7-12)10-13(17)11-18-14-4-2-1-3-5-14/h2,4-5,12-13,17H,1,3,6-11,15H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol?
1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol is sourced from PubChem (CID 142554658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).