3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine

C16H25N3 — CID 114706511

IUPAC3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
SMILESc1ncn(CC(C2CC2)C2CC2)c1C1CCCNC1
InChIInChI=1S/C16H25N3/c1-2-14(8-17-7-1)16-9-18-11-19(16)10-15(12-3-4-12)13-5-6-13/h9,11-15,17H,1-8,10H2
InChIKeyWDNHLZNQBSEXAP-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.79
Rot. Bonds5

About 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine

3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine (PubChem CID 114706511) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
PubChem CID114706511
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
SMILESc1ncn(CC(C2CC2)C2CC2)c1C1CCCNC1
InChIInChI=1S/C16H25N3/c1-2-14(8-17-7-1)16-9-18-11-19(16)10-15(12-3-4-12)13-5-6-13/h9,11-15,17H,1-8,10H2
InChIKeyWDNHLZNQBSEXAP-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine
CID 106009447
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine (CID 114706511) is 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine is c1ncn(CC(C2CC2)C2CC2)c1C1CCCNC1.
What is the InChIKey of 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine?
The InChIKey is WDNHLZNQBSEXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-14(8-17-7-1)16-9-18-11-19(16)10-15(12-3-4-12)13-5-6-13/h9,11-15,17H,1-8,10H2.
What are the key properties of 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine?
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine has a molecular weight of 259.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114706511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).