4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine

C14H21FN2 — CID 143235238

IUPAC4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine
SMILESCC1=CC(C)(N)C=CC=C1C1(F)CCNCC1
InChIInChI=1S/C14H21FN2/c1-11-10-13(2,16)5-3-4-12(11)14(15)6-8-17-9-7-14/h3-5,10,17H,6-9,16H2,1-2H3
InChIKeyUARDQTGZOOUOMX-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.24
Rot. Bonds1

About 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine

4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine (PubChem CID 143235238) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine
PubChem CID143235238
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine
SMILESCC1=CC(C)(N)C=CC=C1C1(F)CCNCC1
InChIInChI=1S/C14H21FN2/c1-11-10-13(2,16)5-3-4-12(11)14(15)6-8-17-9-7-14/h3-5,10,17H,6-9,16H2,1-2H3
InChIKeyUARDQTGZOOUOMX-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine (CID 143235238) is 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine is CC1=CC(C)(N)C=CC=C1C1(F)CCNCC1.
What is the InChIKey of 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is UARDQTGZOOUOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-10-13(2,16)5-3-4-12(11)14(15)6-8-17-9-7-14/h3-5,10,17H,6-9,16H2,1-2H3.
What are the key properties of 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine?
4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143235238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).