1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane

C15H31N3 — CID 64944792

IUPAC1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CN(C2CCCN(C)C2)CCCN1
InChIInChI=1S/C15H31N3/c1-13(2)10-14-11-18(9-5-7-16-14)15-6-4-8-17(3)12-15/h13-16H,4-12H2,1-3H3
InChIKeyYXTRJMBHHHHYEV-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds3

About 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane

1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane (PubChem CID 64944792) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane
PubChem CID64944792
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CN(C2CCCN(C)C2)CCCN1
InChIInChI=1S/C15H31N3/c1-13(2)10-14-11-18(9-5-7-16-14)15-6-4-8-17(3)12-15/h13-16H,4-12H2,1-3H3
InChIKeyYXTRJMBHHHHYEV-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64942540
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 114506173
1-cyclohexyl-3-(2-methylpropyl)piperazine
CID 64924419
3-[3-(2-methylpropyl)-1,4-diazepan-1-yl]-1-azabicyclo[2.2.2]octane
CID 64944670
1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
CID 64950940
1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64943811
1-methyl-3-(3-methylpiperidin-1-yl)piperidine
CID 66580299
1-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)piperazine
CID 64951829
1-[(1-cyclopropylcyclopropyl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 114095560
1-(3-fluoropropyl)-3-(2-methylpropyl)-1,4-diazepane
CID 81113598
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64944188
1-(1-cyclopentylethyl)-3-(2-methylpropyl)piperazine
CID 64953833

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane (CID 64944792) is 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane is CC(C)CC1CN(C2CCCN(C)C2)CCCN1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
The InChIKey is YXTRJMBHHHHYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)10-14-11-18(9-5-7-16-14)15-6-4-8-17(3)12-15/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane?
1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane has a molecular weight of 253.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane is sourced from PubChem (CID 64944792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).