3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine

C17H29N3O — CID 72856636

IUPAC3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C17H29N3O/c1-21-12-4-10-19-9-3-7-16(14-19)17-18-8-11-20(17)13-15-5-2-6-15/h8,11,15-16H,2-7,9-10,12-14H2,1H3
InChIKeyMBFUOROPAUDQLO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.90
Rot. Bonds7

About 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine

3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine (PubChem CID 72856636) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine
PubChem CID72856636
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine
SMILESCOCCCN1CCCC(c2nccn2CC2CCC2)C1
InChIInChI=1S/C17H29N3O/c1-21-12-4-10-19-9-3-7-16(14-19)17-18-8-11-20(17)13-15-5-2-6-15/h8,11,15-16H,2-7,9-10,12-14H2,1H3
InChIKeyMBFUOROPAUDQLO-UHFFFAOYSA-N
XLogP2.90
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
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 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine?
The IUPAC name of 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine (CID 72856636) is 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine?
The canonical SMILES for 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine is COCCCN1CCCC(c2nccn2CC2CCC2)C1.
What is the InChIKey of 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine?
The InChIKey is MBFUOROPAUDQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-21-12-4-10-19-9-3-7-16(14-19)17-18-8-11-20(17)13-15-5-2-6-15/h8,11,15-16H,2-7,9-10,12-14H2,1H3.
What are the key properties of 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine?
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine has a molecular weight of 291.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine is sourced from PubChem (CID 72856636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).