3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline

C17H21N3 — CID 82123155

IUPAC3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline
SMILESCC1CCN(c2ccc(-c3cccc(N)c3)cn2)CC1
InChIInChI=1S/C17H21N3/c1-13-7-9-20(10-8-13)17-6-5-15(12-19-17)14-3-2-4-16(18)11-14/h2-6,11-13H,7-10,18H2,1H3
InChIKeyFHRWTDMPVFAMOF-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.57
Rot. Bonds2

About 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline

3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline (PubChem CID 82123155) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline.

Molecular Properties

Compound Name3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline
PubChem CID82123155
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline
SMILESCC1CCN(c2ccc(-c3cccc(N)c3)cn2)CC1
InChIInChI=1S/C17H21N3/c1-13-7-9-20(10-8-13)17-6-5-15(12-19-17)14-3-2-4-16(18)11-14/h2-6,11-13H,7-10,18H2,1H3
InChIKeyFHRWTDMPVFAMOF-UHFFFAOYSA-N
XLogP3.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.57
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 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline?
The IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline (CID 82123155) is 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline.
What is the SMILES notation for 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline?
The canonical SMILES for 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline is CC1CCN(c2ccc(-c3cccc(N)c3)cn2)CC1.
What is the InChIKey of 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline?
The InChIKey is FHRWTDMPVFAMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-7-9-20(10-8-13)17-6-5-15(12-19-17)14-3-2-4-16(18)11-14/h2-6,11-13H,7-10,18H2,1H3.
What are the key properties of 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline?
3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline has a molecular weight of 267.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]aniline is sourced from PubChem (CID 82123155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).