4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline

C26H38N2 — CID 142017524

IUPAC4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline
SMILESCCCc1cc(N)ccc1C(C)Cc1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C26H38N2/c1-3-8-24-20-25(27)14-15-26(24)21(2)19-23-12-10-22(11-13-23)9-7-18-28-16-5-4-6-17-28/h10-15,20-21H,3-9,16-19,27H2,1-2H3
InChIKeyRWQALZAWWHZFHG-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.99
Rot. Bonds9

About 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline

4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline (PubChem CID 142017524) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline.

Molecular Properties

Compound Name4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline
PubChem CID142017524
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC Name4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline
SMILESCCCc1cc(N)ccc1C(C)Cc1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C26H38N2/c1-3-8-24-20-25(27)14-15-26(24)21(2)19-23-12-10-22(11-13-23)9-7-18-28-16-5-4-6-17-28/h10-15,20-21H,3-9,16-19,27H2,1-2H3
InChIKeyRWQALZAWWHZFHG-UHFFFAOYSA-N
XLogP5.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol
CID 142130440
4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
CID 115342057
ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
CID 153405634
4-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 113417575
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
4-[3-propyl-4-[1-(4-propylphenyl)propan-2-yl]phenyl]butan-2-one
CID 142130444
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
4-[4-(4-ethylpiperazin-1-yl)butyl]aniline
CID 94274343
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
4-[[4-[14-[4-[(4-amino-2-propylphenyl)methyl]phenyl]tetradecyl]phenyl]methyl]-3-propylaniline
CID 22920322

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline?
The IUPAC name of 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline (CID 142017524) is 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline.
What is the SMILES notation for 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline?
The canonical SMILES for 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline is CCCc1cc(N)ccc1C(C)Cc1ccc(CCCN2CCCCC2)cc1.
What is the InChIKey of 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline?
The InChIKey is RWQALZAWWHZFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2/c1-3-8-24-20-25(27)14-15-26(24)21(2)19-23-12-10-22(11-13-23)9-7-18-28-16-5-4-6-17-28/h10-15,20-21H,3-9,16-19,27H2,1-2H3.
What are the key properties of 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline?
4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline has a molecular weight of 378.60 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline is sourced from PubChem (CID 142017524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).