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

C16H23FN2 — CID 146882665

IUPACN-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccc(F)cc2C2CC2)CC1
InChIInChI=1S/C16H23FN2/c1-19-8-6-15(7-9-19)18-11-13-4-5-14(17)10-16(13)12-2-3-12/h4-5,10,12,15,18H,2-3,6-9,11H2,1H3
InChIKeySTULGCUXVQOQSV-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.89
Rot. Bonds4

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

N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 146882665) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID146882665
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccc(F)cc2C2CC2)CC1
InChIInChI=1S/C16H23FN2/c1-19-8-6-15(7-9-19)18-11-13-4-5-14(17)10-16(13)12-2-3-12/h4-5,10,12,15,18H,2-3,6-9,11H2,1H3
InChIKeySTULGCUXVQOQSV-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine (CID 146882665) is N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2ccc(F)cc2C2CC2)CC1.
What is the InChIKey of N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is STULGCUXVQOQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-19-8-6-15(7-9-19)18-11-13-4-5-14(17)10-16(13)12-2-3-12/h4-5,10,12,15,18H,2-3,6-9,11H2,1H3.
What are the key properties of N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 262.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-4-fluorophenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 146882665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).