1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine

C13H24F2N2 — CID 115045866

IUPAC1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine
SMILESNC1(C(F)F)CCN(C2CCCCCC2)CC1
InChIInChI=1S/C13H24F2N2/c14-12(15)13(16)7-9-17(10-8-13)11-5-3-1-2-4-6-11/h11-12H,1-10,16H2
InChIKeyZQVICENCEDBNHK-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.77
Rot. Bonds2

About 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine

1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine (PubChem CID 115045866) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine
PubChem CID115045866
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine
SMILESNC1(C(F)F)CCN(C2CCCCCC2)CC1
InChIInChI=1S/C13H24F2N2/c14-12(15)13(16)7-9-17(10-8-13)11-5-3-1-2-4-6-11/h11-12H,1-10,16H2
InChIKeyZQVICENCEDBNHK-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine?
The IUPAC name of 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine (CID 115045866) is 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine.
What is the SMILES notation for 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine?
The canonical SMILES for 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine is NC1(C(F)F)CCN(C2CCCCCC2)CC1.
What is the InChIKey of 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine?
The InChIKey is ZQVICENCEDBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c14-12(15)13(16)7-9-17(10-8-13)11-5-3-1-2-4-6-11/h11-12H,1-10,16H2.
What are the key properties of 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine?
1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine has a molecular weight of 246.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine is sourced from PubChem (CID 115045866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).