1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine

C17H30N4O2 — CID 167847389

IUPAC1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine
SMILESCCC1(C)CCCN(CCc2cn(C[C@H]3COCCO3)nn2)C1
InChIInChI=1S/C17H30N4O2/c1-3-17(2)6-4-7-20(14-17)8-5-15-11-21(19-18-15)12-16-13-22-9-10-23-16/h11,16H,3-10,12-14H2,1-2H3/t16-,17?/m0/s1
InChIKeyWNRLUTNWFACXMH-BHWOMJMDSA-N
MW322.45 g/mol
LogP1.75
Rot. Bonds6

About 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine

1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine (PubChem CID 167847389) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine.

Molecular Properties

Compound Name1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine
PubChem CID167847389
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine
SMILESCCC1(C)CCCN(CCc2cn(C[C@H]3COCCO3)nn2)C1
InChIInChI=1S/C17H30N4O2/c1-3-17(2)6-4-7-20(14-17)8-5-15-11-21(19-18-15)12-16-13-22-9-10-23-16/h11,16H,3-10,12-14H2,1-2H3/t16-,17?/m0/s1
InChIKeyWNRLUTNWFACXMH-BHWOMJMDSA-N
XLogP1.75
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine with MolForge

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Related Compounds

1-(1,4-dioxan-2-ylmethyl)-3-fluoro-3-methylpiperidine
CID 126793844
1-(1,4-dioxan-2-ylmethyl)-3,3-dimethyl-1,4-diazepane
CID 64944195
[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-4-methylmorpholine
CID 79182053
4-(2-bromoethyl)-1-(oxan-2-ylmethyl)triazole
CID 62395835
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-4-(2-methylpropyl)morpholine
CID 62394416
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 86700079
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine?
The IUPAC name of 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine (CID 167847389) is 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine.
What is the SMILES notation for 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine?
The canonical SMILES for 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine is CCC1(C)CCCN(CCc2cn(C[C@H]3COCCO3)nn2)C1.
What is the InChIKey of 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine?
The InChIKey is WNRLUTNWFACXMH-BHWOMJMDSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-3-17(2)6-4-7-20(14-17)8-5-15-11-21(19-18-15)12-16-13-22-9-10-23-16/h11,16H,3-10,12-14H2,1-2H3/t16-,17?/m0/s1.
What are the key properties of 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine?
1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine has a molecular weight of 322.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[[(2S)-1,4-dioxan-2-yl]methyl]triazol-4-yl]ethyl]-3-ethyl-3-methylpiperidine is sourced from PubChem (CID 167847389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).