4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane

C15H29N3 — CID 63902936

IUPAC4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane
SMILESC1CCN(C2CCN(C3CCCNCC3)C2)CC1
InChIInChI=1S/C15H29N3/c1-2-10-17(11-3-1)15-7-12-18(13-15)14-5-4-8-16-9-6-14/h14-16H,1-13H2
InChIKeyAUWVFJUKMYYQEG-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.69
Rot. Bonds2

About 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane

4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane (PubChem CID 63902936) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane.

Molecular Properties

Compound Name4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane
PubChem CID63902936
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane
SMILESC1CCN(C2CCN(C3CCCNCC3)C2)CC1
InChIInChI=1S/C15H29N3/c1-2-10-17(11-3-1)15-7-12-18(13-15)14-5-4-8-16-9-6-14/h14-16H,1-13H2
InChIKeyAUWVFJUKMYYQEG-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane?
The IUPAC name of 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane (CID 63902936) is 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane.
What is the SMILES notation for 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane?
The canonical SMILES for 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane is C1CCN(C2CCN(C3CCCNCC3)C2)CC1.
What is the InChIKey of 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane?
The InChIKey is AUWVFJUKMYYQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-10-17(11-3-1)15-7-12-18(13-15)14-5-4-8-16-9-6-14/h14-16H,1-13H2.
What are the key properties of 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane?
4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane has a molecular weight of 251.42 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane is sourced from PubChem (CID 63902936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).