1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine

C16H31N3 — CID 166837394

IUPAC1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine
SMILESC=C(CC(C)(C)C)N1CNC(CN2CCCCC2)C1
InChIInChI=1S/C16H31N3/c1-14(10-16(2,3)4)19-12-15(17-13-19)11-18-8-6-5-7-9-18/h15,17H,1,5-13H2,2-4H3
InChIKeyQULHZWNLUAWQKB-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.65
Rot. Bonds4

About 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine

1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine (PubChem CID 166837394) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine
PubChem CID166837394
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine
SMILESC=C(CC(C)(C)C)N1CNC(CN2CCCCC2)C1
InChIInChI=1S/C16H31N3/c1-14(10-16(2,3)4)19-12-15(17-13-19)11-18-8-6-5-7-9-18/h15,17H,1,5-13H2,2-4H3
InChIKeyQULHZWNLUAWQKB-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-2-ylmethyl)piperidine
CID 21193250
2,2,2-trifluoro-1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone
CID 21336766
1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium
CID 170976675
[3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 141128819
[1-benzyl-4-(4,4-dimethylpent-1-en-2-yl)piperazin-2-yl]methanol
CID 166838025
1-[(4,4-difluoropyrrolidin-2-yl)methyl]piperidine
CID 167996550
1-(2,2-dimethylpropyl)azocane
CID 131007399
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-[(2-methylpyrrolidin-3-yl)methyl]azocane
CID 79385329
3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine
CID 134397975
methyl (2S,5S)-2-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
CID 15480952
1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(4,4-dimethylpent-1-en-2-yl)-3-fluoroazetidine;N,N,3,3-tetramethylbutanamide
CID 159770051

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine?
The IUPAC name of 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine (CID 166837394) is 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine is C=C(CC(C)(C)C)N1CNC(CN2CCCCC2)C1.
What is the InChIKey of 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine?
The InChIKey is QULHZWNLUAWQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(10-16(2,3)4)19-12-15(17-13-19)11-18-8-6-5-7-9-18/h15,17H,1,5-13H2,2-4H3.
What are the key properties of 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine?
1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine has a molecular weight of 265.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4,4-dimethylpent-1-en-2-yl)imidazolidin-4-yl]methyl]piperidine is sourced from PubChem (CID 166837394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).