[1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol

C23H34N4O — CID 155256678

IUPAC[1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESCc1nc(N(C)C)nc(N2CCC(CO)(CCCc3ccccc3)CC2)c1C
InChIInChI=1S/C23H34N4O/c1-18-19(2)24-22(26(3)4)25-21(18)27-15-13-23(17-28,14-16-27)12-8-11-20-9-6-5-7-10-20/h5-7,9-10,28H,8,11-17H2,1-4H3
InChIKeyDTBMBILVQFUHDI-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.76
Rot. Bonds7

About [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol

[1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol (PubChem CID 155256678) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
PubChem CID155256678
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name[1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESCc1nc(N(C)C)nc(N2CCC(CO)(CCCc3ccccc3)CC2)c1C
InChIInChI=1S/C23H34N4O/c1-18-19(2)24-22(26(3)4)25-21(18)27-15-13-23(17-28,14-16-27)12-8-11-20-9-6-5-7-10-20/h5-7,9-10,28H,8,11-17H2,1-4H3
InChIKeyDTBMBILVQFUHDI-UHFFFAOYSA-N
XLogP3.76
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol (CID 155256678) is [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol is Cc1nc(N(C)C)nc(N2CCC(CO)(CCCc3ccccc3)CC2)c1C.
What is the InChIKey of [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The InChIKey is DTBMBILVQFUHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-18-19(2)24-22(26(3)4)25-21(18)27-15-13-23(17-28,14-16-27)12-8-11-20-9-6-5-7-10-20/h5-7,9-10,28H,8,11-17H2,1-4H3.
What are the key properties of [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol?
[1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol has a molecular weight of 382.55 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(3-phenylpropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 155256678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).