4-phenyl-4-(pyridin-2-ylamino)butan-1-ol

C15H18N2O — CID 71874383

IUPAC4-phenyl-4-(pyridin-2-ylamino)butan-1-ol
SMILESOCCCC(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C15H18N2O/c18-12-6-9-14(13-7-2-1-3-8-13)17-15-10-4-5-11-16-15/h1-5,7-8,10-11,14,18H,6,9,12H2,(H,16,17)
InChIKeyYKMBMORAULIPEU-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.01
Rot. Bonds6

About 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol

4-phenyl-4-(pyridin-2-ylamino)butan-1-ol (PubChem CID 71874383) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-phenyl-4-(pyridin-2-ylamino)butan-1-ol
PubChem CID71874383
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-phenyl-4-(pyridin-2-ylamino)butan-1-ol
SMILESOCCCC(Nc1ccccn1)c1ccccc1
InChIInChI=1S/C15H18N2O/c18-12-6-9-14(13-7-2-1-3-8-13)17-15-10-4-5-11-16-15/h1-5,7-8,10-11,14,18H,6,9,12H2,(H,16,17)
InChIKeyYKMBMORAULIPEU-UHFFFAOYSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol?
The IUPAC name of 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol (CID 71874383) is 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol?
The canonical SMILES for 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol is OCCCC(Nc1ccccn1)c1ccccc1.
What is the InChIKey of 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol?
The InChIKey is YKMBMORAULIPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-12-6-9-14(13-7-2-1-3-8-13)17-15-10-4-5-11-16-15/h1-5,7-8,10-11,14,18H,6,9,12H2,(H,16,17).
What are the key properties of 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol?
4-phenyl-4-(pyridin-2-ylamino)butan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-(pyridin-2-ylamino)butan-1-ol is sourced from PubChem (CID 71874383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).