4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline

C15H21F3N2 — CID 115342194

IUPAC4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline
SMILESNc1ccc(CCCN2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-7-10-20(11-8-13)9-1-2-12-3-5-14(19)6-4-12/h3-6,13H,1-2,7-11,19H2
InChIKeyIEBXDXASWVPPFD-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.48
Rot. Bonds4

About 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline

4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline (PubChem CID 115342194) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline
PubChem CID115342194
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline
SMILESNc1ccc(CCCN2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)13-7-10-20(11-8-13)9-1-2-12-3-5-14(19)6-4-12/h3-6,13H,1-2,7-11,19H2
InChIKeyIEBXDXASWVPPFD-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine
CID 170867728
4-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 113417575
4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
CID 115342057
1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine
CID 175666595
4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]aniline
CID 62966638
4-[4-(4-ethylpiperazin-1-yl)butyl]aniline
CID 94274343
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
4-[3-(3,4-dimethoxypyrrolidin-1-yl)propyl]aniline
CID 103533938
4-[2-(4-cyclopropylpiperazin-1-yl)ethyl]aniline
CID 61440083
4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline
CID 115341800
1-(4-methylpentyl)-4-(trifluoromethyl)piperidine
CID 142528699
1-[2-(4-aminophenyl)ethyl]pyrrolidin-3-ol
CID 62941498

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline?
The IUPAC name of 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline (CID 115342194) is 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline is Nc1ccc(CCCN2CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline?
The InChIKey is IEBXDXASWVPPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c16-15(17,18)13-7-10-20(11-8-13)9-1-2-12-3-5-14(19)6-4-12/h3-6,13H,1-2,7-11,19H2.
What are the key properties of 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline?
4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline has a molecular weight of 286.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline is sourced from PubChem (CID 115342194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).