2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine

C18H24N4 — CID 59865110

IUPAC2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(CCCCc3ccncc3)CC2)nc1
InChIInChI=1S/C18H24N4/c1(4-16-6-12-19-13-7-16)2-5-17-8-14-22(15-9-17)18-20-10-3-11-21-18/h3,6-7,10-13,17H,1-2,4-5,8-9,14-15H2
InChIKeyMDRDMHTWMZKVPX-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.50
Rot. Bonds6

About 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine

2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine (PubChem CID 59865110) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine
PubChem CID59865110
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(CCCCc3ccncc3)CC2)nc1
InChIInChI=1S/C18H24N4/c1(4-16-6-12-19-13-7-16)2-5-17-8-14-22(15-9-17)18-20-10-3-11-21-18/h3,6-7,10-13,17H,1-2,4-5,8-9,14-15H2
InChIKeyMDRDMHTWMZKVPX-UHFFFAOYSA-N
XLogP3.50
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine (CID 59865110) is 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine is c1cnc(N2CCC(CCCCc3ccncc3)CC2)nc1.
What is the InChIKey of 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine?
The InChIKey is MDRDMHTWMZKVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1(4-16-6-12-19-13-7-16)2-5-17-8-14-22(15-9-17)18-20-10-3-11-21-18/h3,6-7,10-13,17H,1-2,4-5,8-9,14-15H2.
What are the key properties of 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine?
2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine has a molecular weight of 296.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 59865110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).