2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane

C14H29N3 — CID 114086520

IUPAC2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
SMILESCCC1CN(C)CCCN1CC1CCCNC1
InChIInChI=1S/C14H29N3/c1-3-14-12-16(2)8-5-9-17(14)11-13-6-4-7-15-10-13/h13-15H,3-12H2,1-2H3
InChIKeyINBPQMRGVOHTQA-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds3

About 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane

2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane (PubChem CID 114086520) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
PubChem CID114086520
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
SMILESCCC1CN(C)CCCN1CC1CCCNC1
InChIInChI=1S/C14H29N3/c1-3-14-12-16(2)8-5-9-17(14)11-13-6-4-7-15-10-13/h13-15H,3-12H2,1-2H3
InChIKeyINBPQMRGVOHTQA-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
2-ethyl-4-methyl-1-[(2-methylpiperidin-4-yl)methyl]-1,4-diazepane
CID 114087202
2-ethyl-1-(2-piperidin-3-ylethyl)piperidine;dihydrochloride
CID 56831677
[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol
CID 83821345
1-ethyl-2,5-dimethyl-4-(piperidin-3-ylmethyl)piperazine
CID 120848946
2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine
CID 114087204
1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
CID 62357709
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine
CID 120850211
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol
CID 120855183

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane?
The IUPAC name of 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane (CID 114086520) is 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane?
The canonical SMILES for 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane is CCC1CN(C)CCCN1CC1CCCNC1.
What is the InChIKey of 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane?
The InChIKey is INBPQMRGVOHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-14-12-16(2)8-5-9-17(14)11-13-6-4-7-15-10-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane?
2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane has a molecular weight of 239.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 114086520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).