[4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol

C21H26N4O — CID 56746133

IUPAC[4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C21H26N4O/c26-15-21(9-4-7-17-5-2-1-3-6-17)10-13-25(14-11-21)20-18-8-12-22-19(18)23-16-24-20/h1-3,5-6,8,12,16,26H,4,7,9-11,13-15H2,(H,22,23,24)
InChIKeyFNIZGXIXCIXYES-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.56
Rot. Bonds6

About [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol

[4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 56746133) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID56746133
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C21H26N4O/c26-15-21(9-4-7-17-5-2-1-3-6-17)10-13-25(14-11-21)20-18-8-12-22-19(18)23-16-24-20/h1-3,5-6,8,12,16,26H,4,7,9-11,13-15H2,(H,22,23,24)
InChIKeyFNIZGXIXCIXYES-UHFFFAOYSA-N
XLogP3.56
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol (CID 56746133) is [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is OCC1(CCCc2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is FNIZGXIXCIXYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-15-21(9-4-7-17-5-2-1-3-6-17)10-13-25(14-11-21)20-18-8-12-22-19(18)23-16-24-20/h1-3,5-6,8,12,16,26H,4,7,9-11,13-15H2,(H,22,23,24).
What are the key properties of [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol?
[4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 350.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 56746133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).