4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline

C17H27N3 — CID 62590147

IUPAC4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESCc1ccc(N)cc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H27N3/c1-14-5-6-15(18)13-17(14)20-11-7-16(8-12-20)19-9-3-2-4-10-19/h5-6,13,16H,2-4,7-12,18H2,1H3
InChIKeyCCWAZINQEKNXTI-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.03
Rot. Bonds2

About 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline

4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline (PubChem CID 62590147) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
PubChem CID62590147
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESCc1ccc(N)cc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H27N3/c1-14-5-6-15(18)13-17(14)20-11-7-16(8-12-20)19-9-3-2-4-10-19/h5-6,13,16H,2-4,7-12,18H2,1H3
InChIKeyCCWAZINQEKNXTI-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The IUPAC name of 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline (CID 62590147) is 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline.
What is the SMILES notation for 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The canonical SMILES for 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline is Cc1ccc(N)cc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The InChIKey is CCWAZINQEKNXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-5-6-15(18)13-17(14)20-11-7-16(8-12-20)19-9-3-2-4-10-19/h5-6,13,16H,2-4,7-12,18H2,1H3.
What are the key properties of 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
4-methyl-3-(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 4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline is sourced from PubChem (CID 62590147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).