4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine

C17H29N3 — CID 114704999

IUPAC4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine
SMILESCCCC1CCC(n2cncc2C2CCNCC2)CC1
InChIInChI=1S/C17H29N3/c1-2-3-14-4-6-16(7-5-14)20-13-19-12-17(20)15-8-10-18-11-9-15/h12-16,18H,2-11H2,1H3
InChIKeyVCXFBKVQJWRKOR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.88
Rot. Bonds4

About 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine

4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine (PubChem CID 114704999) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine
PubChem CID114704999
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine
SMILESCCCC1CCC(n2cncc2C2CCNCC2)CC1
InChIInChI=1S/C17H29N3/c1-2-3-14-4-6-16(7-5-14)20-13-19-12-17(20)15-8-10-18-11-9-15/h12-16,18H,2-11H2,1H3
InChIKeyVCXFBKVQJWRKOR-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide
CID 114702845
4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 104966852
4-[3-(2,3-dihydro-1H-inden-2-yl)imidazol-4-yl]piperidine
CID 107854524
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
2-[3-(4-ethylcyclohexyl)imidazol-4-yl]piperidine
CID 114704600
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
CID 114704625
4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 66140663
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
CID 114112555
ethane;4-propylpiperidine
CID 142071399
5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole
CID 114719037

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine (CID 114704999) is 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine is CCCC1CCC(n2cncc2C2CCNCC2)CC1.
What is the InChIKey of 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine?
The InChIKey is VCXFBKVQJWRKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-3-14-4-6-16(7-5-14)20-13-19-12-17(20)15-8-10-18-11-9-15/h12-16,18H,2-11H2,1H3.
What are the key properties of 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine?
4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine has a molecular weight of 275.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114704999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).