1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane

C14H29N3 — CID 115102113

IUPAC1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane
SMILESCCN1CCCCC1CN1CCCNC(C)C1
InChIInChI=1S/C14H29N3/c1-3-17-10-5-4-7-14(17)12-16-9-6-8-15-13(2)11-16/h13-15H,3-12H2,1-2H3
InChIKeyWCAGMPUEAWMWIX-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds3

About 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane

1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane (PubChem CID 115102113) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane
PubChem CID115102113
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane
SMILESCCN1CCCCC1CN1CCCNC(C)C1
InChIInChI=1S/C14H29N3/c1-3-17-10-5-4-7-14(17)12-16-9-6-8-15-13(2)11-16/h13-15H,3-12H2,1-2H3
InChIKeyWCAGMPUEAWMWIX-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64951928
3-methyl-1-[(4-methylcyclohexyl)methyl]-1,4-diazepane
CID 64951574
1,2-diethylpiperidine
CID 19604037
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
CID 64942661
(3R)-1-(cyclobutylmethyl)-3-methylpiperazine
CID 104975501
(2S)-N-[(1-ethylpiperidin-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081585
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
1-(2-ethylhexyl)-3-methyl-1,4-diazepane
CID 64859197

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane?
The IUPAC name of 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane (CID 115102113) is 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane?
The canonical SMILES for 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane is CCN1CCCCC1CN1CCCNC(C)C1.
What is the InChIKey of 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane?
The InChIKey is WCAGMPUEAWMWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-17-10-5-4-7-14(17)12-16-9-6-8-15-13(2)11-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane?
1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane has a molecular weight of 239.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane is sourced from PubChem (CID 115102113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).