1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol

C16H22N2O2 — CID 18351380

IUPAC1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol
SMILESNC1CCN(CC(O)Cc2coc3ccccc23)CC1
InChIInChI=1S/C16H22N2O2/c17-13-5-7-18(8-6-13)10-14(19)9-12-11-20-16-4-2-1-3-15(12)16/h1-4,11,13-14,19H,5-10,17H2
InChIKeyJOCHPWBPQAYQRP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.76
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol

1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol (PubChem CID 18351380) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol
PubChem CID18351380
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol
SMILESNC1CCN(CC(O)Cc2coc3ccccc23)CC1
InChIInChI=1S/C16H22N2O2/c17-13-5-7-18(8-6-13)10-14(19)9-12-11-20-16-4-2-1-3-15(12)16/h1-4,11,13-14,19H,5-10,17H2
InChIKeyJOCHPWBPQAYQRP-UHFFFAOYSA-N
XLogP1.76
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
2-[4-(1-benzofuran-3-ylmethyl)piperidin-1-yl]ethanamine
CID 116926610
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307025
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
2-amino-3-(1-benzofuran-3-yl)propanamide
CID 116850913
1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
4-(1-benzofuran-3-yl)-3-methylbutanoic acid
CID 116926807
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol (CID 18351380) is 1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol is NC1CCN(CC(O)Cc2coc3ccccc23)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol?
The InChIKey is JOCHPWBPQAYQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-13-5-7-18(8-6-13)10-14(19)9-12-11-20-16-4-2-1-3-15(12)16/h1-4,11,13-14,19H,5-10,17H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol?
1-(4-aminopiperidin-1-yl)-3-(1-benzofuran-3-yl)propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 1.76, 4 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-(1-benzofuran-3-yl)propan-2-ol is sourced from PubChem (CID 18351380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).