4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol

C16H27N3O — CID 156802660

IUPAC4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol
SMILESCC(C)c1ncc(C2CCN(CCCCO)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-13(2)16-17-11-15(12-18-16)14-5-8-19(9-6-14)7-3-4-10-20/h11-14,20H,3-10H2,1-2H3
InChIKeyNIVYBJMSEOAZDT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.55
Rot. Bonds6

About 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol

4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol (PubChem CID 156802660) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol
PubChem CID156802660
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol
SMILESCC(C)c1ncc(C2CCN(CCCCO)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-13(2)16-17-11-15(12-18-16)14-5-8-19(9-6-14)7-3-4-10-20/h11-14,20H,3-10H2,1-2H3
InChIKeyNIVYBJMSEOAZDT-UHFFFAOYSA-N
XLogP2.55
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol (CID 156802660) is 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol is CC(C)c1ncc(C2CCN(CCCCO)CC2)cn1.
What is the InChIKey of 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol?
The InChIKey is NIVYBJMSEOAZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)16-17-11-15(12-18-16)14-5-8-19(9-6-14)7-3-4-10-20/h11-14,20H,3-10H2,1-2H3.
What are the key properties of 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol?
4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 156802660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).