4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine

C15H25N3O — CID 70751123

IUPAC4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine
SMILESCn1ccnc1C1CCN(CCC2CCOC2)CC1
InChIInChI=1S/C15H25N3O/c1-17-10-6-16-15(17)14-3-8-18(9-4-14)7-2-13-5-11-19-12-13/h6,10,13-14H,2-5,7-9,11-12H2,1H3
InChIKeyNRXFIZSHDABBIZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.03
Rot. Bonds4

About 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine

4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine (PubChem CID 70751123) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine
PubChem CID70751123
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine
SMILESCn1ccnc1C1CCN(CCC2CCOC2)CC1
InChIInChI=1S/C15H25N3O/c1-17-10-6-16-15(17)14-3-8-18(9-4-14)7-2-13-5-11-19-12-13/h6,10,13-14H,2-5,7-9,11-12H2,1H3
InChIKeyNRXFIZSHDABBIZ-UHFFFAOYSA-N
XLogP2.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine (CID 70751123) is 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine is Cn1ccnc1C1CCN(CCC2CCOC2)CC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine?
The InChIKey is NRXFIZSHDABBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-10-6-16-15(17)14-3-8-18(9-4-14)7-2-13-5-11-19-12-13/h6,10,13-14H,2-5,7-9,11-12H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine?
4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine has a molecular weight of 263.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-[2-(oxolan-3-yl)ethyl]piperidine is sourced from PubChem (CID 70751123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).