3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride

C8H14Cl2N2O — CID 122156680

IUPAC3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NC(CCO)c1ccncc1
InChIInChI=1S/C8H12N2O.2ClH/c9-8(3-6-11)7-1-4-10-5-2-7;;/h1-2,4-5,8,11H,3,6,9H2;2*1H
InChIKeyDKKSTUVKKVWGTH-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.31
Rot. Bonds3

About 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride

3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride (PubChem CID 122156680) has the molecular formula C8H14Cl2N2O and a molecular weight of 225.12 g/mol. Its IUPAC name is 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
PubChem CID122156680
Molecular FormulaC8H14Cl2N2O
Molecular Weight225.12 g/mol
Exact Mass224.05
IUPAC Name3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NC(CCO)c1ccncc1
InChIInChI=1S/C8H12N2O.2ClH/c9-8(3-6-11)7-1-4-10-5-2-7;;/h1-2,4-5,8,11H,3,6,9H2;2*1H
InChIKeyDKKSTUVKKVWGTH-UHFFFAOYSA-N
XLogP1.31
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
CID 171200285
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol
CID 55293388
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
The IUPAC name of 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride (CID 122156680) is 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride.
What is the SMILES notation for 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
The canonical SMILES for 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride is Cl.Cl.NC(CCO)c1ccncc1.
What is the InChIKey of 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
The InChIKey is DKKSTUVKKVWGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.2ClH/c9-8(3-6-11)7-1-4-10-5-2-7;;/h1-2,4-5,8,11H,3,6,9H2;2*1H.
What are the key properties of 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride is sourced from PubChem (CID 122156680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).