N-(3-fluorophenyl)-2-methylpiperidin-1-amine

C12H17FN2 — CID 67995701

IUPACN-(3-fluorophenyl)-2-methylpiperidin-1-amine
SMILESCC1CCCCN1Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2/c1-10-5-2-3-8-15(10)14-12-7-4-6-11(13)9-12/h4,6-7,9-10,14H,2-3,5,8H2,1H3
InChIKeyASAUOXZOTJDKIT-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.03
Rot. Bonds2

About N-(3-fluorophenyl)-2-methylpiperidin-1-amine

N-(3-fluorophenyl)-2-methylpiperidin-1-amine (PubChem CID 67995701) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methylpiperidin-1-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methylpiperidin-1-amine
PubChem CID67995701
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-(3-fluorophenyl)-2-methylpiperidin-1-amine
SMILESCC1CCCCN1Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2/c1-10-5-2-3-8-15(10)14-12-7-4-6-11(13)9-12/h4,6-7,9-10,14H,2-3,5,8H2,1H3
InChIKeyASAUOXZOTJDKIT-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methylpiperidin-1-amine?
The IUPAC name of N-(3-fluorophenyl)-2-methylpiperidin-1-amine (CID 67995701) is N-(3-fluorophenyl)-2-methylpiperidin-1-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-methylpiperidin-1-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-methylpiperidin-1-amine is CC1CCCCN1Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methylpiperidin-1-amine?
The InChIKey is ASAUOXZOTJDKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-10-5-2-3-8-15(10)14-12-7-4-6-11(13)9-12/h4,6-7,9-10,14H,2-3,5,8H2,1H3.
What are the key properties of N-(3-fluorophenyl)-2-methylpiperidin-1-amine?
N-(3-fluorophenyl)-2-methylpiperidin-1-amine has a molecular weight of 208.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methylpiperidin-1-amine is sourced from PubChem (CID 67995701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).