(S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine

C15H20Cl2N2 — CID 68673281

IUPAC(S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine
SMILESC=CCN1CCCC[C@H]1[C@@H](N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2/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/t14-,15-/m0/s1
InChIKeyTWOXIFQYIDUHTG-GJZGRUSLSA-N
MW299.25 g/mol
LogP4.03
Rot. Bonds4

About (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine

(S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine (PubChem CID 68673281) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name(S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine
PubChem CID68673281
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name(S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine
SMILESC=CCN1CCCC[C@H]1[C@@H](N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2/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/t14-,15-/m0/s1
InChIKeyTWOXIFQYIDUHTG-GJZGRUSLSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.03
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 (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine?
The IUPAC name of (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine (CID 68673281) is (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine.
What is the SMILES notation for (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine?
The canonical SMILES for (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine is C=CCN1CCCC[C@H]1[C@@H](N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine?
The InChIKey is TWOXIFQYIDUHTG-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H20Cl2N2/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/t14-,15-/m0/s1.
What are the key properties of (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine?
(S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine has a molecular weight of 299.25 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,5-dichlorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanamine is sourced from PubChem (CID 68673281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).