3-methyl-4-(4-propylpiperidin-1-yl)aniline

C15H24N2 — CID 62200933

IUPAC3-methyl-4-(4-propylpiperidin-1-yl)aniline
SMILESCCCC1CCN(c2ccc(N)cc2C)CC1
InChIInChI=1S/C15H24N2/c1-3-4-13-7-9-17(10-8-13)15-6-5-14(16)11-12(15)2/h5-6,11,13H,3-4,7-10,16H2,1-2H3
InChIKeyFOWKJVPRLBFDQX-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.59
Rot. Bonds3

About 3-methyl-4-(4-propylpiperidin-1-yl)aniline

3-methyl-4-(4-propylpiperidin-1-yl)aniline (PubChem CID 62200933) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-methyl-4-(4-propylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-4-(4-propylpiperidin-1-yl)aniline
PubChem CID62200933
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-methyl-4-(4-propylpiperidin-1-yl)aniline
SMILESCCCC1CCN(c2ccc(N)cc2C)CC1
InChIInChI=1S/C15H24N2/c1-3-4-13-7-9-17(10-8-13)15-6-5-14(16)11-12(15)2/h5-6,11,13H,3-4,7-10,16H2,1-2H3
InChIKeyFOWKJVPRLBFDQX-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793608
5-bromo-2-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 114048234
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 63552895
1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid
CID 69043416
4-[4-(azetidin-1-yl)piperidin-1-yl]-3-methylaniline
CID 142621533
[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 107926173
4-(3-ethylpiperidin-1-yl)-3-methylaniline
CID 43584157
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine
CID 63786885
4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
CID 61421048
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-propylpiperidin-1-yl)aniline?
The IUPAC name of 3-methyl-4-(4-propylpiperidin-1-yl)aniline (CID 62200933) is 3-methyl-4-(4-propylpiperidin-1-yl)aniline.
What is the SMILES notation for 3-methyl-4-(4-propylpiperidin-1-yl)aniline?
The canonical SMILES for 3-methyl-4-(4-propylpiperidin-1-yl)aniline is CCCC1CCN(c2ccc(N)cc2C)CC1.
What is the InChIKey of 3-methyl-4-(4-propylpiperidin-1-yl)aniline?
The InChIKey is FOWKJVPRLBFDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-4-13-7-9-17(10-8-13)15-6-5-14(16)11-12(15)2/h5-6,11,13H,3-4,7-10,16H2,1-2H3.
What are the key properties of 3-methyl-4-(4-propylpiperidin-1-yl)aniline?
3-methyl-4-(4-propylpiperidin-1-yl)aniline has a molecular weight of 232.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-propylpiperidin-1-yl)aniline is sourced from PubChem (CID 62200933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).