N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride

C13H22Cl2N2 — CID 19390920

IUPACN,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride
SMILESCN(C)c1ccc(C2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-15(2)13-5-3-11(4-6-13)12-7-9-14-10-8-12;;/h3-6,12,14H,7-10H2,1-2H3;2*1H
InChIKeyJPDNJYIUHQHAHR-UHFFFAOYSA-N
MW277.24 g/mol
LogP3.06
Rot. Bonds2

About N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride

N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride (PubChem CID 19390920) has the molecular formula C13H22Cl2N2 and a molecular weight of 277.24 g/mol. Its IUPAC name is N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride
PubChem CID19390920
Molecular FormulaC13H22Cl2N2
Molecular Weight277.24 g/mol
Exact Mass276.12
IUPAC NameN,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride
SMILESCN(C)c1ccc(C2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-15(2)13-5-3-11(4-6-13)12-7-9-14-10-8-12;;/h3-6,12,14H,7-10H2,1-2H3;2*1H
InChIKeyJPDNJYIUHQHAHR-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride?
The IUPAC name of N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride (CID 19390920) is N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride?
The canonical SMILES for N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride is CN(C)c1ccc(C2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride?
The InChIKey is JPDNJYIUHQHAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.2ClH/c1-15(2)13-5-3-11(4-6-13)12-7-9-14-10-8-12;;/h3-6,12,14H,7-10H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride?
N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride has a molecular weight of 277.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride is sourced from PubChem (CID 19390920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).