1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol

C12H18N2O2 — CID 103986436

IUPAC1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
SMILESNc1ccncc1CC(O)CC1CCOC1
InChIInChI=1S/C12H18N2O2/c13-12-1-3-14-7-10(12)6-11(15)5-9-2-4-16-8-9/h1,3,7,9,11,15H,2,4-6,8H2,(H2,13,14)
InChIKeyUQZSLUWEFDSNHV-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.99
Rot. Bonds4

About 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol

1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol (PubChem CID 103986436) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
PubChem CID103986436
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
SMILESNc1ccncc1CC(O)CC1CCOC1
InChIInChI=1S/C12H18N2O2/c13-12-1-3-14-7-10(12)6-11(15)5-9-2-4-16-8-9/h1,3,7,9,11,15H,2,4-6,8H2,(H2,13,14)
InChIKeyUQZSLUWEFDSNHV-UHFFFAOYSA-N
XLogP0.99
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986580
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736202
3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987130
3-[1-(ethylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987393
3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 65329161
1-(4-ethylphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986414
3-[2-(oxan-4-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 65334878
1-(oxolan-3-yl)-3-quinolin-2-ylpropan-2-ol
CID 103986478
1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986427
3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712449
3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine
CID 65412028
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-ol
CID 113362031

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol (CID 103986436) is 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol is Nc1ccncc1CC(O)CC1CCOC1.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol?
The InChIKey is UQZSLUWEFDSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-12-1-3-14-7-10(12)6-11(15)5-9-2-4-16-8-9/h1,3,7,9,11,15H,2,4-6,8H2,(H2,13,14).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol?
1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol has a molecular weight of 222.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol is sourced from PubChem (CID 103986436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).