4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane

C12H24N2O — CID 104595033

IUPAC4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane
SMILESCC1(CN2CCCOCC2)CCCCN1
InChIInChI=1S/C12H24N2O/c1-12(5-2-3-6-13-12)11-14-7-4-9-15-10-8-14/h13H,2-11H2,1H3
InChIKeyFFEGNICMGHJEPI-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds2

About 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane

4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane (PubChem CID 104595033) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane
PubChem CID104595033
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane
SMILESCC1(CN2CCCOCC2)CCCCN1
InChIInChI=1S/C12H24N2O/c1-12(5-2-3-6-13-12)11-14-7-4-9-15-10-8-14/h13H,2-11H2,1H3
InChIKeyFFEGNICMGHJEPI-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpiperidin-2-yl)methyl]morpholine
CID 104594654
8-[(2-methylpiperidin-2-yl)methyl]-8-azaspiro[4.5]decane
CID 113430623
1-methyl-4-[(2-methylpiperidin-2-yl)methyl]-1,4-diazepane
CID 104594729
4-[(2-propylpyrrolidin-2-yl)methyl]-1,4-oxazepane
CID 106976397
N,N-dimethyl-1-[(2-methylpiperidin-2-yl)methyl]piperidin-4-amine
CID 104594786
2-ethyl-4-[(2-methylpiperidin-2-yl)methyl]morpholine
CID 104594775
4-[(2-ethylpyrrolidin-2-yl)methyl]morpholine
CID 83073154
1-butan-2-yl-4-[(2-methylpiperidin-2-yl)methyl]piperazine
CID 104595017
4-[[1-(bromomethyl)cyclopentyl]methyl]-1,4-oxazepane
CID 65002858
2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpiperidine
CID 113430577
4-[(4-propylpiperidin-4-yl)methyl]-1,4-oxazepane
CID 63129768
3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 104595156

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane?
The IUPAC name of 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane (CID 104595033) is 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane.
What is the SMILES notation for 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane?
The canonical SMILES for 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane is CC1(CN2CCCOCC2)CCCCN1.
What is the InChIKey of 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane?
The InChIKey is FFEGNICMGHJEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(5-2-3-6-13-12)11-14-7-4-9-15-10-8-14/h13H,2-11H2,1H3.
What are the key properties of 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane?
4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane has a molecular weight of 212.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-2-yl)methyl]-1,4-oxazepane is sourced from PubChem (CID 104595033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).