(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

C14H20Cl2N2 — CID 124552547

IUPAC(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCN([C@H](CN)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H20Cl2N2/c1-10-3-2-4-18(9-10)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,2-4,8-9,17H2,1H3/t10-,14+/m0/s1
InChIKeyFNAYOLSGFCLSAS-IINYFYTJSA-N
MW287.23 g/mol
LogP3.73
Rot. Bonds3

About (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine

(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine (PubChem CID 124552547) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
PubChem CID124552547
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
SMILESC[C@H]1CCCN([C@H](CN)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C14H20Cl2N2/c1-10-3-2-4-18(9-10)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,2-4,8-9,17H2,1H3/t10-,14+/m0/s1
InChIKeyFNAYOLSGFCLSAS-IINYFYTJSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The IUPAC name of (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine (CID 124552547) is (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine.
What is the SMILES notation for (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The canonical SMILES for (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine is C[C@H]1CCCN([C@H](CN)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
The InChIKey is FNAYOLSGFCLSAS-IINYFYTJSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-10-3-2-4-18(9-10)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,2-4,8-9,17H2,1H3/t10-,14+/m0/s1.
What are the key properties of (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine?
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 124552547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).