5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride

C15H26Cl2N2O — CID 91754557

IUPAC5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride
SMILESCc1cc(N)c(OC(C)C)cc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-10(2)18-15-9-13(11(3)8-14(15)16)12-4-6-17-7-5-12;;/h8-10,12,17H,4-7,16H2,1-3H3;2*1H
InChIKeyGRRXEYVKIONDRW-UHFFFAOYSA-N
MW321.29 g/mol
LogP3.68
Rot. Bonds3

About 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride

5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride (PubChem CID 91754557) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride.

Molecular Properties

Compound Name5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride
PubChem CID91754557
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC Name5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride
SMILESCc1cc(N)c(OC(C)C)cc1C1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-10(2)18-15-9-13(11(3)8-14(15)16)12-4-6-17-7-5-12;;/h8-10,12,17H,4-7,16H2,1-3H3;2*1H
InChIKeyGRRXEYVKIONDRW-UHFFFAOYSA-N
XLogP3.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2-Aminoethoxy)-2-methylphenyl]methyl]aniline
CID 118429005
4-[[4-(2-Aminoethoxy)-2,6-dimethylphenyl]methyl]aniline
CID 162644431
4-[2-[(dimethylamino)methyl]phenyl]-N-(4-piperidin-1-ylbutyl)-2-(2-piperidin-1-ylethoxy)aniline
CID 145986652
2-(2-cyclohexylethoxy)-4-[2-[(dimethylamino)methyl]phenyl]-N-(3-piperidin-1-ylpropyl)aniline
CID 145993657
6-(propan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 28806806
3-(4-Piperidin-4-yloxyphenyl)aniline
CID 172435809
1-(4-Fluorophenyl)-3-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)thiourea
CID 172443430
1-(4-Fluorophenyl)-3-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)urea
CID 172466533
2,2'-Dimethyl-5,5'-dipropoxybenzidine
CID 10947443
1,1-Dimethylethyl 4-[4-amino-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate
CID 59764580
2-Isopropoxy-5-methyl-4-(piperidin-4-yl)aniline
CID 58290895
4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58494789

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride?
The IUPAC name of 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride (CID 91754557) is 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride.
What is the SMILES notation for 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride?
The canonical SMILES for 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride is Cc1cc(N)c(OC(C)C)cc1C1CCNCC1.Cl.Cl.
What is the InChIKey of 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride?
The InChIKey is GRRXEYVKIONDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c1-10(2)18-15-9-13(11(3)8-14(15)16)12-4-6-17-7-5-12;;/h8-10,12,17H,4-7,16H2,1-3H3;2*1H.
What are the key properties of 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride?
5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperidin-4-yl-2-propan-2-yloxyaniline;dihydrochloride is sourced from PubChem (CID 91754557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).