1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane

C13H27N3 — CID 107165077

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
SMILESCN1CCC(C)(CN2CCCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-13(4-9-15(2)10-5-13)12-16-8-3-6-14-7-11-16/h14H,3-12H2,1-2H3
InChIKeySWZNXMGAIJUVKU-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds2

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane

1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane (PubChem CID 107165077) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
PubChem CID107165077
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
SMILESCN1CCC(C)(CN2CCCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-13(4-9-15(2)10-5-13)12-16-8-3-6-14-7-11-16/h14H,3-12H2,1-2H3
InChIKeySWZNXMGAIJUVKU-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane
CID 63161230
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane
CID 107165073
1-methyl-4-[(3-methylpiperidin-3-yl)methyl]-1,4-diazepane
CID 63133054
1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
CID 82506013
4,4-dimethyl-1-[(4-methylpiperidin-4-yl)methyl]azepane
CID 65282639
[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol
CID 82509991
4-ethyl-4-methyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 55159111
4,4-dimethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63123190
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-methyl-1,4-diazepane
CID 161378839
1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421291

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane (CID 107165077) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane is CN1CCC(C)(CN2CCCNCC2)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane?
The InChIKey is SWZNXMGAIJUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(4-9-15(2)10-5-13)12-16-8-3-6-14-7-11-16/h14H,3-12H2,1-2H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane has a molecular weight of 225.38 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane is sourced from PubChem (CID 107165077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).