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

C16H27N3 — CID 70994776

IUPAC4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(N2CCC(N3CCCCC3)CC2)C=C1
InChIInChI=1S/C16H27N3/c17-14-4-6-15(7-5-14)19-12-8-16(9-13-19)18-10-2-1-3-11-18/h4-6,15-16H,1-3,7-13,17H2
InChIKeyKKCWFIBNSFFNHB-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.11
Rot. Bonds2

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

4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 70994776) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
PubChem CID70994776
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(N2CCC(N3CCCCC3)CC2)C=C1
InChIInChI=1S/C16H27N3/c17-14-4-6-15(7-5-14)19-12-8-16(9-13-19)18-10-2-1-3-11-18/h4-6,15-16H,1-3,7-13,17H2
InChIKeyKKCWFIBNSFFNHB-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine (CID 70994776) is 4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine is NC1=CCC(N2CCC(N3CCCCC3)CC2)C=C1.
What is the InChIKey of 4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is KKCWFIBNSFFNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c17-14-4-6-15(7-5-14)19-12-8-16(9-13-19)18-10-2-1-3-11-18/h4-6,15-16H,1-3,7-13,17H2.
What are the key properties of 4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine?
4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70994776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).