[1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol

C19H26N4O — CID 56750508

IUPAC[1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESNc1nccc(N2CCCC(CO)(CCCc3ccccc3)C2)n1
InChIInChI=1S/C19H26N4O/c20-18-21-12-9-17(22-18)23-13-5-11-19(14-23,15-24)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,12,24H,4-5,8,10-11,13-15H2,(H2,20,21,22)
InChIKeyDTYLCARBXSKICY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.66
Rot. Bonds6

About [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol

[1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol (PubChem CID 56750508) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
PubChem CID56750508
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESNc1nccc(N2CCCC(CO)(CCCc3ccccc3)C2)n1
InChIInChI=1S/C19H26N4O/c20-18-21-12-9-17(22-18)23-13-5-11-19(14-23,15-24)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,12,24H,4-5,8,10-11,13-15H2,(H2,20,21,22)
InChIKeyDTYLCARBXSKICY-UHFFFAOYSA-N
XLogP2.66
TPSA75.27 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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol (CID 56750508) is [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol is Nc1nccc(N2CCCC(CO)(CCCc3ccccc3)C2)n1.
What is the InChIKey of [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
The InChIKey is DTYLCARBXSKICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c20-18-21-12-9-17(22-18)23-13-5-11-19(14-23,15-24)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,12,24H,4-5,8,10-11,13-15H2,(H2,20,21,22).
What are the key properties of [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol?
[1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol has a molecular weight of 326.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminopyrimidin-4-yl)-3-(3-phenylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 56750508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).