4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine

C15H25N3 — CID 70994777

IUPAC4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(N2CCC(N3CCCC3)CC2)C=C1
InChIInChI=1S/C15H25N3/c16-13-3-5-14(6-4-13)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-5,14-15H,1-2,6-12,16H2
InChIKeyOAJWJUIYDUNLNW-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.72
Rot. Bonds2

About 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine

4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 70994777) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
PubChem CID70994777
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(N2CCC(N3CCCC3)CC2)C=C1
InChIInChI=1S/C15H25N3/c16-13-3-5-14(6-4-13)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-5,14-15H,1-2,6-12,16H2
InChIKeyOAJWJUIYDUNLNW-UHFFFAOYSA-N
XLogP1.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine (CID 70994777) is 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine is NC1=CCC(N2CCC(N3CCCC3)CC2)C=C1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is OAJWJUIYDUNLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c16-13-3-5-14(6-4-13)18-11-7-15(8-12-18)17-9-1-2-10-17/h3-5,14-15H,1-2,6-12,16H2.
What are the key properties of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine?
4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70994777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).