(3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine

C15H20ClFN2 — CID 68672417

IUPAC(3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine
SMILESC=CCN1CCCCC1C(N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H20ClFN2/c1-2-6-19-7-4-3-5-14(19)15(18)11-8-12(16)10-13(17)9-11/h2,8-10,14-15H,1,3-7,18H2
InChIKeyYXIIULWUFXRTTB-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.52
Rot. Bonds4

About (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine

(3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine (PubChem CID 68672417) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine
PubChem CID68672417
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name(3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine
SMILESC=CCN1CCCCC1C(N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H20ClFN2/c1-2-6-19-7-4-3-5-14(19)15(18)11-8-12(16)10-13(17)9-11/h2,8-10,14-15H,1,3-7,18H2
InChIKeyYXIIULWUFXRTTB-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine?
The IUPAC name of (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine (CID 68672417) is (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine?
The canonical SMILES for (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine is C=CCN1CCCCC1C(N)c1cc(F)cc(Cl)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine?
The InChIKey is YXIIULWUFXRTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c1-2-6-19-7-4-3-5-14(19)15(18)11-8-12(16)10-13(17)9-11/h2,8-10,14-15H,1,3-7,18H2.
What are the key properties of (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine?
(3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine has a molecular weight of 282.79 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-(1-prop-2-enylpiperidin-2-yl)methanamine is sourced from PubChem (CID 68672417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).