4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol

C20H28N4O — CID 72867133

IUPAC4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol
SMILESCCCc1cncnc1N1CCC(NCCc2ccc(O)cc2)CC1
InChIInChI=1S/C20H28N4O/c1-2-3-17-14-21-15-23-20(17)24-12-9-18(10-13-24)22-11-8-16-4-6-19(25)7-5-16/h4-7,14-15,18,22,25H,2-3,8-13H2,1H3
InChIKeyINRSIECJKSZKIH-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.94
Rot. Bonds7

About 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol

4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol (PubChem CID 72867133) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol
PubChem CID72867133
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol
SMILESCCCc1cncnc1N1CCC(NCCc2ccc(O)cc2)CC1
InChIInChI=1S/C20H28N4O/c1-2-3-17-14-21-15-23-20(17)24-12-9-18(10-13-24)22-11-8-16-4-6-19(25)7-5-16/h4-7,14-15,18,22,25H,2-3,8-13H2,1H3
InChIKeyINRSIECJKSZKIH-UHFFFAOYSA-N
XLogP2.94
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol (CID 72867133) is 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol is CCCc1cncnc1N1CCC(NCCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol?
The InChIKey is INRSIECJKSZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-3-17-14-21-15-23-20(17)24-12-9-18(10-13-24)22-11-8-16-4-6-19(25)7-5-16/h4-7,14-15,18,22,25H,2-3,8-13H2,1H3.
What are the key properties of 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol?
4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol has a molecular weight of 340.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 72867133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).