4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol

C19H26N4O — CID 72837467

IUPAC4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol
SMILESCCCc1cncnc1N1CCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-2-3-16-13-20-14-22-19(16)23-10-8-17(9-11-23)21-12-15-4-6-18(24)7-5-15/h4-7,13-14,17,21,24H,2-3,8-12H2,1H3
InChIKeyWUSPSTDJQJFWQJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.89
Rot. Bonds6

About 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol

4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol (PubChem CID 72837467) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol
PubChem CID72837467
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol
SMILESCCCc1cncnc1N1CCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C19H26N4O/c1-2-3-16-13-20-14-22-19(16)23-10-8-17(9-11-23)21-12-15-4-6-18(24)7-5-15/h4-7,13-14,17,21,24H,2-3,8-12H2,1H3
InChIKeyWUSPSTDJQJFWQJ-UHFFFAOYSA-N
XLogP2.89
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol (CID 72837467) is 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol is CCCc1cncnc1N1CCC(NCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol?
The InChIKey is WUSPSTDJQJFWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-3-16-13-20-14-22-19(16)23-10-8-17(9-11-23)21-12-15-4-6-18(24)7-5-15/h4-7,13-14,17,21,24H,2-3,8-12H2,1H3.
What are the key properties of 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol?
4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol has a molecular weight of 326.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]phenol is sourced from PubChem (CID 72837467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).