3,4-dichlorophenol;methanamine;piperidine

C12H20Cl2N2O — CID 156722812

IUPAC3,4-dichlorophenol;methanamine;piperidine
SMILESC1CCNCC1.CN.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H4Cl2O.C5H11N.CH5N/c7-5-2-1-4(9)3-6(5)8;1-2-4-6-5-3-1;1-2/h1-3,9H;6H,1-5H2;2H2,1H3
InChIKeyKBLYYGCTFUKVIQ-UHFFFAOYSA-N
MW279.21 g/mol
LogP3.03
Rot. Bonds

About 3,4-dichlorophenol;methanamine;piperidine

3,4-dichlorophenol;methanamine;piperidine (PubChem CID 156722812) has the molecular formula C12H20Cl2N2O and a molecular weight of 279.21 g/mol. Its IUPAC name is 3,4-dichlorophenol;methanamine;piperidine.

Molecular Properties

Compound Name3,4-dichlorophenol;methanamine;piperidine
PubChem CID156722812
Molecular FormulaC12H20Cl2N2O
Molecular Weight279.21 g/mol
Exact Mass278.10
IUPAC Name3,4-dichlorophenol;methanamine;piperidine
SMILESC1CCNCC1.CN.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C6H4Cl2O.C5H11N.CH5N/c7-5-2-1-4(9)3-6(5)8;1-2-4-6-5-3-1;1-2/h1-3,9H;6H,1-5H2;2H2,1H3
InChIKeyKBLYYGCTFUKVIQ-UHFFFAOYSA-N
XLogP3.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorophenol;methanamine;piperidine?
The IUPAC name of 3,4-dichlorophenol;methanamine;piperidine (CID 156722812) is 3,4-dichlorophenol;methanamine;piperidine.
What is the SMILES notation for 3,4-dichlorophenol;methanamine;piperidine?
The canonical SMILES for 3,4-dichlorophenol;methanamine;piperidine is C1CCNCC1.CN.Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichlorophenol;methanamine;piperidine?
The InChIKey is KBLYYGCTFUKVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O.C5H11N.CH5N/c7-5-2-1-4(9)3-6(5)8;1-2-4-6-5-3-1;1-2/h1-3,9H;6H,1-5H2;2H2,1H3.
What are the key properties of 3,4-dichlorophenol;methanamine;piperidine?
3,4-dichlorophenol;methanamine;piperidine has a molecular weight of 279.21 g/mol, XLogP of 3.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorophenol;methanamine;piperidine is sourced from PubChem (CID 156722812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).