N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine

C15H20F2N2 — CID 83991736

IUPACN-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NC2CC2)CN(c2ccc(F)cc2F)C1
InChIInChI=1S/C15H20F2N2/c1-10-6-13(18-12-3-4-12)9-19(8-10)15-5-2-11(16)7-14(15)17/h2,5,7,10,12-13,18H,3-4,6,8-9H2,1H3
InChIKeyKFKLHLAYLSSRHR-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.93
Rot. Bonds3

About N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine

N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine (PubChem CID 83991736) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine
PubChem CID83991736
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC NameN-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NC2CC2)CN(c2ccc(F)cc2F)C1
InChIInChI=1S/C15H20F2N2/c1-10-6-13(18-12-3-4-12)9-19(8-10)15-5-2-11(16)7-14(15)17/h2,5,7,10,12-13,18H,3-4,6,8-9H2,1H3
InChIKeyKFKLHLAYLSSRHR-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine?
The IUPAC name of N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine (CID 83991736) is N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine?
The canonical SMILES for N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine is CC1CC(NC2CC2)CN(c2ccc(F)cc2F)C1.
What is the InChIKey of N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine?
The InChIKey is KFKLHLAYLSSRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-10-6-13(18-12-3-4-12)9-19(8-10)15-5-2-11(16)7-14(15)17/h2,5,7,10,12-13,18H,3-4,6,8-9H2,1H3.
What are the key properties of N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine?
N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine has a molecular weight of 266.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,4-difluorophenyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 83991736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).