4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine

C12H20N2 — CID 89473981

IUPAC4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1(C2=CC=C(N)CC2)CCNCC1
InChIInChI=1S/C12H20N2/c1-12(6-8-14-9-7-12)10-2-4-11(13)5-3-10/h2,4,14H,3,5-9,13H2,1H3
InChIKeyFJTHVAFKJLWVFH-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.94
Rot. Bonds1

About 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine

4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 89473981) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine
PubChem CID89473981
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1(C2=CC=C(N)CC2)CCNCC1
InChIInChI=1S/C12H20N2/c1-12(6-8-14-9-7-12)10-2-4-11(13)5-3-10/h2,4,14H,3,5-9,13H2,1H3
InChIKeyFJTHVAFKJLWVFH-UHFFFAOYSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine (CID 89473981) is 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine is CC1(C2=CC=C(N)CC2)CCNCC1.
What is the InChIKey of 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is FJTHVAFKJLWVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(6-8-14-9-7-12)10-2-4-11(13)5-3-10/h2,4,14H,3,5-9,13H2,1H3.
What are the key properties of 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine?
4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-4-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89473981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).