4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine

C15H21N5 — CID 72915735

IUPAC4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1CCC1CCN(c2ccncn2)CC1
InChIInChI=1S/C15H21N5/c1-13-17-7-11-19(13)8-3-14-4-9-20(10-5-14)15-2-6-16-12-18-15/h2,6-7,11-12,14H,3-5,8-10H2,1H3
InChIKeyKRRKKNFOSYVMKS-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.29
Rot. Bonds4

About 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine

4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine (PubChem CID 72915735) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine
PubChem CID72915735
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1nccn1CCC1CCN(c2ccncn2)CC1
InChIInChI=1S/C15H21N5/c1-13-17-7-11-19(13)8-3-14-4-9-20(10-5-14)15-2-6-16-12-18-15/h2,6-7,11-12,14H,3-5,8-10H2,1H3
InChIKeyKRRKKNFOSYVMKS-UHFFFAOYSA-N
XLogP2.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine (CID 72915735) is 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine is Cc1nccn1CCC1CCN(c2ccncn2)CC1.
What is the InChIKey of 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The InChIKey is KRRKKNFOSYVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-13-17-7-11-19(13)8-3-14-4-9-20(10-5-14)15-2-6-16-12-18-15/h2,6-7,11-12,14H,3-5,8-10H2,1H3.
What are the key properties of 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine?
4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72915735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).