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

C18H29N3O — CID 70740839

IUPAC4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine
SMILESc1cn(CC2CC2)c(C2CCN(CCC3CCOC3)CC2)n1
InChIInChI=1S/C18H29N3O/c1-2-15(1)13-21-11-7-19-18(21)17-4-9-20(10-5-17)8-3-16-6-12-22-14-16/h7,11,15-17H,1-6,8-10,12-14H2
InChIKeyXCFAPSKTUUNAKX-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.90
Rot. Bonds6

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

4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine (PubChem CID 70740839) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine
PubChem CID70740839
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine
SMILESc1cn(CC2CC2)c(C2CCN(CCC3CCOC3)CC2)n1
InChIInChI=1S/C18H29N3O/c1-2-15(1)13-21-11-7-19-18(21)17-4-9-20(10-5-17)8-3-16-6-12-22-14-16/h7,11,15-17H,1-6,8-10,12-14H2
InChIKeyXCFAPSKTUUNAKX-UHFFFAOYSA-N
XLogP2.90
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine?
The IUPAC name of 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine (CID 70740839) is 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine is c1cn(CC2CC2)c(C2CCN(CCC3CCOC3)CC2)n1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine?
The InChIKey is XCFAPSKTUUNAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-15(1)13-21-11-7-19-18(21)17-4-9-20(10-5-17)8-3-16-6-12-22-14-16/h7,11,15-17H,1-6,8-10,12-14H2.
What are the key properties of 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine?
4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine has a molecular weight of 303.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine is sourced from PubChem (CID 70740839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).