4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol

C18H22N2O — CID 143696710

IUPAC4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol
SMILESC=C(N)Cc1ccc(CCCC(O)c2cccnc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(19)12-16-9-7-15(8-10-16)4-2-6-18(21)17-5-3-11-20-13-17/h3,5,7-11,13,18,21H,1-2,4,6,12,19H2
InChIKeyMOUZWTZGKXFCNM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds7

About 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol

4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol (PubChem CID 143696710) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Name4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol
PubChem CID143696710
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol
SMILESC=C(N)Cc1ccc(CCCC(O)c2cccnc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(19)12-16-9-7-15(8-10-16)4-2-6-18(21)17-5-3-11-20-13-17/h3,5,7-11,13,18,21H,1-2,4,6,12,19H2
InChIKeyMOUZWTZGKXFCNM-UHFFFAOYSA-N
XLogP3.15
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-pyridin-3-ylpropan-1-ol
CID 19775361
4-methyl-1-pyridin-3-ylpent-4-en-1-ol
CID 114473785
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
1-pyridin-3-ylpent-4-yn-1-ol
CID 15085517
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 65098166
3-(2-methoxyphenyl)-1-pyridin-3-ylpropan-1-ol
CID 82185446
(4-propylphenyl)-pyridin-3-ylmethanol
CID 61087023
2-(2-fluorophenyl)-1-pyridin-3-ylethanol
CID 60797488
N-hydroxy-2-[4-(4-hydroxy-4-pyridin-4-ylbutyl)phenyl]acetamide
CID 59745040

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol?
The IUPAC name of 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol (CID 143696710) is 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol.
What is the SMILES notation for 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol?
The canonical SMILES for 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol is C=C(N)Cc1ccc(CCCC(O)c2cccnc2)cc1.
What is the InChIKey of 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol?
The InChIKey is MOUZWTZGKXFCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(19)12-16-9-7-15(8-10-16)4-2-6-18(21)17-5-3-11-20-13-17/h3,5,7-11,13,18,21H,1-2,4,6,12,19H2.
What are the key properties of 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol?
4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoprop-2-enyl)phenyl]-1-pyridin-3-ylbutan-1-ol is sourced from PubChem (CID 143696710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).