1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane

C14H29N3 — CID 70827953

IUPAC1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane
SMILESCCN1CCCN(CCN2CCCCC2)CC1
InChIInChI=1S/C14H29N3/c1-2-15-9-6-10-17(12-11-15)14-13-16-7-4-3-5-8-16/h2-14H2,1H3
InChIKeyCRMWKNYSUFOWRB-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.50
Rot. Bonds4

About 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane

1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane (PubChem CID 70827953) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane
PubChem CID70827953
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane
SMILESCCN1CCCN(CCN2CCCCC2)CC1
InChIInChI=1S/C14H29N3/c1-2-15-9-6-10-17(12-11-15)14-13-16-7-4-3-5-8-16/h2-14H2,1H3
InChIKeyCRMWKNYSUFOWRB-UHFFFAOYSA-N
XLogP1.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane?
The IUPAC name of 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane (CID 70827953) is 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane.
What is the SMILES notation for 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane?
The canonical SMILES for 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane is CCN1CCCN(CCN2CCCCC2)CC1.
What is the InChIKey of 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane?
The InChIKey is CRMWKNYSUFOWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-15-9-6-10-17(12-11-15)14-13-16-7-4-3-5-8-16/h2-14H2,1H3.
What are the key properties of 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane?
1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane has a molecular weight of 239.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane is sourced from PubChem (CID 70827953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).