N-ethyl-4-piperidin-1-ylaniline;dihydrochloride

C13H22Cl2N2 — CID 23366971

IUPACN-ethyl-4-piperidin-1-ylaniline;dihydrochloride
SMILESCCNc1ccc(N2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-2-14-12-6-8-13(9-7-12)15-10-4-3-5-11-15;;/h6-9,14H,2-5,10-11H2,1H3;2*1H
InChIKeySXQFKSOPWDGFLZ-UHFFFAOYSA-N
MW277.24 g/mol
LogP3.95
Rot. Bonds3

About N-ethyl-4-piperidin-1-ylaniline;dihydrochloride

N-ethyl-4-piperidin-1-ylaniline;dihydrochloride (PubChem CID 23366971) has the molecular formula C13H22Cl2N2 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-ethyl-4-piperidin-1-ylaniline;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-4-piperidin-1-ylaniline;dihydrochloride
PubChem CID23366971
Molecular FormulaC13H22Cl2N2
Molecular Weight277.24 g/mol
Exact Mass276.12
IUPAC NameN-ethyl-4-piperidin-1-ylaniline;dihydrochloride
SMILESCCNc1ccc(N2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-2-14-12-6-8-13(9-7-12)15-10-4-3-5-11-15;;/h6-9,14H,2-5,10-11H2,1H3;2*1H
InChIKeySXQFKSOPWDGFLZ-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-4-piperidin-1-ylaniline
CID 43715656
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 63179252
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62347242
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline
CID 66414741

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-piperidin-1-ylaniline;dihydrochloride?
The IUPAC name of N-ethyl-4-piperidin-1-ylaniline;dihydrochloride (CID 23366971) is N-ethyl-4-piperidin-1-ylaniline;dihydrochloride.
What is the SMILES notation for N-ethyl-4-piperidin-1-ylaniline;dihydrochloride?
The canonical SMILES for N-ethyl-4-piperidin-1-ylaniline;dihydrochloride is CCNc1ccc(N2CCCCC2)cc1.Cl.Cl.
What is the InChIKey of N-ethyl-4-piperidin-1-ylaniline;dihydrochloride?
The InChIKey is SXQFKSOPWDGFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.2ClH/c1-2-14-12-6-8-13(9-7-12)15-10-4-3-5-11-15;;/h6-9,14H,2-5,10-11H2,1H3;2*1H.
What are the key properties of N-ethyl-4-piperidin-1-ylaniline;dihydrochloride?
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride has a molecular weight of 277.24 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperidin-1-ylaniline;dihydrochloride is sourced from PubChem (CID 23366971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).