4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol

C18H19ClN4O — CID 163356828

IUPAC4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
SMILESCn1ccc2c(N3CCC(O)(c4ccc(Cl)cc4)CC3)ncnc21
InChIInChI=1S/C18H19ClN4O/c1-22-9-6-15-16(22)20-12-21-17(15)23-10-7-18(24,8-11-23)13-2-4-14(19)5-3-13/h2-6,9,12,24H,7-8,10-11H2,1H3
InChIKeyMKKCHAYKLXPLAA-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.11
Rot. Bonds2

About 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol

4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol (PubChem CID 163356828) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
PubChem CID163356828
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
SMILESCn1ccc2c(N3CCC(O)(c4ccc(Cl)cc4)CC3)ncnc21
InChIInChI=1S/C18H19ClN4O/c1-22-9-6-15-16(22)20-12-21-17(15)23-10-7-18(24,8-11-23)13-2-4-14(19)5-3-13/h2-6,9,12,24H,7-8,10-11H2,1H3
InChIKeyMKKCHAYKLXPLAA-UHFFFAOYSA-N
XLogP3.11
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol (CID 163356828) is 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol is Cn1ccc2c(N3CCC(O)(c4ccc(Cl)cc4)CC3)ncnc21.
What is the InChIKey of 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol?
The InChIKey is MKKCHAYKLXPLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-22-9-6-15-16(22)20-12-21-17(15)23-10-7-18(24,8-11-23)13-2-4-14(19)5-3-13/h2-6,9,12,24H,7-8,10-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol has a molecular weight of 342.83 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 163356828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).