1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane

C14H29N3O — CID 106587374

IUPAC1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane
SMILESCOCC1CCCN(CCN2CCCNCC2)C1
InChIInChI=1S/C14H29N3O/c1-18-13-14-4-2-7-17(12-14)11-10-16-8-3-5-15-6-9-16/h14-15H,2-13H2,1H3
InChIKeyNLIORYFXHACCMT-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds5

About 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane

1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane (PubChem CID 106587374) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane
PubChem CID106587374
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane
SMILESCOCC1CCCN(CCN2CCCNCC2)C1
InChIInChI=1S/C14H29N3O/c1-18-13-14-4-2-7-17(12-14)11-10-16-8-3-5-15-6-9-16/h14-15H,2-13H2,1H3
InChIKeyNLIORYFXHACCMT-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
2-(1,4-diazepan-1-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64598090
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
CID 106587391
4-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylbutanethioamide
CID 106586975
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
CID 106590054
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
1-(methoxymethyl)-1,4-diazepane
CID 174500454

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane?
The IUPAC name of 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane (CID 106587374) is 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane.
What is the SMILES notation for 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane?
The canonical SMILES for 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane is COCC1CCCN(CCN2CCCNCC2)C1.
What is the InChIKey of 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane?
The InChIKey is NLIORYFXHACCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-18-13-14-4-2-7-17(12-14)11-10-16-8-3-5-15-6-9-16/h14-15H,2-13H2,1H3.
What are the key properties of 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane?
1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane has a molecular weight of 255.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane is sourced from PubChem (CID 106587374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).