4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline

C15H25N3 — CID 146239607

IUPAC4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline
SMILESCNC(C)(C)C1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,17-3)12-8-10-18(11-9-12)14-6-4-13(16)5-7-14/h4-7,12,17H,8-11,16H2,1-3H3
InChIKeyBZHQKUJBBORNGU-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.48
Rot. Bonds3

About 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline

4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline (PubChem CID 146239607) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline.

Molecular Properties

Compound Name4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline
PubChem CID146239607
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline
SMILESCNC(C)(C)C1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,17-3)12-8-10-18(11-9-12)14-6-4-13(16)5-7-14/h4-7,12,17H,8-11,16H2,1-3H3
InChIKeyBZHQKUJBBORNGU-UHFFFAOYSA-N
XLogP2.48
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
4-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]aniline
CID 129320764
4-(4-azabicyclo[5.1.0]octan-4-yl)aniline
CID 70313854
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
CID 106750697
1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide
CID 173073573
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 62091433
4-(4-methylsulfonylpiperidin-1-yl)aniline
CID 152771530
1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
CID 19804348
4-(4-tert-butylpiperidin-1-yl)phenol
CID 164764149
4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
CID 89182130
4-(4-tert-butylazepan-1-yl)benzene-1,2-diamine
CID 106750874
4-tert-butyl-1-phenylpiperidine
CID 612454

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline?
The IUPAC name of 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline (CID 146239607) is 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline.
What is the SMILES notation for 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline?
The canonical SMILES for 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline is CNC(C)(C)C1CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline?
The InChIKey is BZHQKUJBBORNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,17-3)12-8-10-18(11-9-12)14-6-4-13(16)5-7-14/h4-7,12,17H,8-11,16H2,1-3H3.
What are the key properties of 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline?
4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline has a molecular weight of 247.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline is sourced from PubChem (CID 146239607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).