2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine

C15H27N5O — CID 45238120

IUPAC2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine
SMILESCC1(C)CN(Cc2cn(CC3CCCNC3)nn2)CCO1
InChIInChI=1S/C15H27N5O/c1-15(2)12-19(6-7-21-15)10-14-11-20(18-17-14)9-13-4-3-5-16-8-13/h11,13,16H,3-10,12H2,1-2H3
InChIKeyDCGLPXRPZQXXOQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.89
Rot. Bonds4

About 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine

2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine (PubChem CID 45238120) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine
PubChem CID45238120
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine
SMILESCC1(C)CN(Cc2cn(CC3CCCNC3)nn2)CCO1
InChIInChI=1S/C15H27N5O/c1-15(2)12-19(6-7-21-15)10-14-11-20(18-17-14)9-13-4-3-5-16-8-13/h11,13,16H,3-10,12H2,1-2H3
InChIKeyDCGLPXRPZQXXOQ-UHFFFAOYSA-N
XLogP0.89
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300
2,2-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 93204728
N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
CID 56854108
(3S)-3-[[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 30877153
3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol
CID 45240942
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
CID 120848601
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115026061
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine
CID 107069025
1-[1-(azepan-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 165456758
1-[4-[4-[(2,2-dimethylmorpholin-4-yl)methyl]triazol-1-yl]piperidin-1-yl]-3-methylpentan-1-one
CID 46982570
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine
CID 121208781

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine?
The IUPAC name of 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine (CID 45238120) is 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine?
The canonical SMILES for 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine is CC1(C)CN(Cc2cn(CC3CCCNC3)nn2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine?
The InChIKey is DCGLPXRPZQXXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-15(2)12-19(6-7-21-15)10-14-11-20(18-17-14)9-13-4-3-5-16-8-13/h11,13,16H,3-10,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine?
2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 45238120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).