N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine

C17H25FN2 — CID 81344573

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C2CC2)CCN1C
InChIInChI=1S/C17H25FN2/c1-12-11-16(9-10-20(12)2)19-17(13-3-4-13)14-5-7-15(18)8-6-14/h5-8,12-13,16-17,19H,3-4,9-11H2,1-2H3
InChIKeyPWWKXQLCRGWCFG-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds4

About N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine

N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 81344573) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine
PubChem CID81344573
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C2CC2)CCN1C
InChIInChI=1S/C17H25FN2/c1-12-11-16(9-10-20(12)2)19-17(13-3-4-13)14-5-7-15(18)8-6-14/h5-8,12-13,16-17,19H,3-4,9-11H2,1-2H3
InChIKeyPWWKXQLCRGWCFG-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine (CID 81344573) is N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine is CC1CC(NC(c2ccc(F)cc2)C2CC2)CCN1C.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is PWWKXQLCRGWCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-12-11-16(9-10-20(12)2)19-17(13-3-4-13)14-5-7-15(18)8-6-14/h5-8,12-13,16-17,19H,3-4,9-11H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 276.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81344573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).