2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline

C17H27N3 — CID 59452966

IUPAC2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESCc1cc(N2CCC(N3CCCCC3)CC2)ccc1N
InChIInChI=1S/C17H27N3/c1-14-13-16(5-6-17(14)18)20-11-7-15(8-12-20)19-9-3-2-4-10-19/h5-6,13,15H,2-4,7-12,18H2,1H3
InChIKeySDSZUPXYBOZBPR-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.03
Rot. Bonds2

About 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline

2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline (PubChem CID 59452966) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
PubChem CID59452966
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESCc1cc(N2CCC(N3CCCCC3)CC2)ccc1N
InChIInChI=1S/C17H27N3/c1-14-13-16(5-6-17(14)18)20-11-7-15(8-12-20)19-9-3-2-4-10-19/h5-6,13,15H,2-4,7-12,18H2,1H3
InChIKeySDSZUPXYBOZBPR-UHFFFAOYSA-N
XLogP3.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(bromomethyl)-3-methylphenyl]-4-piperidin-1-ylpiperidine
CID 107080833
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 79018586
1-(4-amino-3-methylphenyl)azepan-4-ol
CID 23103827
2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline
CID 143794435
tert-butyl N-[2-amino-5-(4-piperidin-1-ylpiperidin-1-yl)phenyl]carbamate
CID 146281625
2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]aniline
CID 59401888
4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 62590147
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 55231767
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The IUPAC name of 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline (CID 59452966) is 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The canonical SMILES for 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline is Cc1cc(N2CCC(N3CCCCC3)CC2)ccc1N.
What is the InChIKey of 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The InChIKey is SDSZUPXYBOZBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-13-16(5-6-17(14)18)20-11-7-15(8-12-20)19-9-3-2-4-10-19/h5-6,13,15H,2-4,7-12,18H2,1H3.
What are the key properties of 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline?
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline has a molecular weight of 273.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)aniline is sourced from PubChem (CID 59452966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).