1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane

C13H27N3 — CID 114505872

IUPAC1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
SMILESCC1CNCCN(C2CCN(C)CC2C)C1
InChIInChI=1S/C13H27N3/c1-11-8-14-5-7-16(9-11)13-4-6-15(3)10-12(13)2/h11-14H,4-10H2,1-3H3
InChIKeyBRODYDPYUWLCOY-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.87
Rot. Bonds1

About 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane

1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane (PubChem CID 114505872) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
PubChem CID114505872
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
SMILESCC1CNCCN(C2CCN(C)CC2C)C1
InChIInChI=1S/C13H27N3/c1-11-8-14-5-7-16(9-11)13-4-6-15(3)10-12(13)2/h11-14H,4-10H2,1-3H3
InChIKeyBRODYDPYUWLCOY-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
CID 114505869
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967
1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine
CID 114506163
3-methyl-1-azabicyclo[2.2.0]hexane;piperidine
CID 118163643
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 114506173
3-(6-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 63922407
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane
CID 79879039
1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane
CID 114505870
1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperidine-4-carboxylic acid
CID 124525677
1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane
CID 114506159
1-(2-methoxycyclopentyl)-3-methyl-1,5-diazocane
CID 62087734

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane (CID 114505872) is 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane is CC1CNCCN(C2CCN(C)CC2C)C1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane?
The InChIKey is BRODYDPYUWLCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11-8-14-5-7-16(9-11)13-4-6-15(3)10-12(13)2/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane?
1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane has a molecular weight of 225.38 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane is sourced from PubChem (CID 114505872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).