6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane

C12H24N2O — CID 120848898

IUPAC6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane
SMILESCC1COCCN(CC2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c1-11-8-14(6-7-15-10-11)9-12-2-4-13-5-3-12/h11-13H,2-10H2,1H3
InChIKeyUDTSYQFRZTYYOI-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds2

About 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane

6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane (PubChem CID 120848898) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane
PubChem CID120848898
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane
SMILESCC1COCCN(CC2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c1-11-8-14(6-7-15-10-11)9-12-2-4-13-5-3-12/h11-13H,2-10H2,1H3
InChIKeyUDTSYQFRZTYYOI-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-2-ylmethyl)-6-methyl-1,4-oxazepane
CID 130855576
6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
CID 62824558
4-ethyl-6-methyl-1,4-oxazepane
CID 91104812
3-methyl-1-(oxan-4-ylmethyl)-1,5-diazocane
CID 63712685
2-cyclohexyl-4-(piperidin-4-ylmethyl)morpholine
CID 120852973
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
(3R)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol
CID 86323280

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane?
The IUPAC name of 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane (CID 120848898) is 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane is CC1COCCN(CC2CCNCC2)C1.
What is the InChIKey of 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane?
The InChIKey is UDTSYQFRZTYYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11-8-14(6-7-15-10-11)9-12-2-4-13-5-3-12/h11-13H,2-10H2,1H3.
What are the key properties of 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane?
6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane has a molecular weight of 212.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 120848898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).