4-(4-piperidin-1-ylphenyl)aniline

C17H20N2 — CID 45277459

IUPAC4-(4-piperidin-1-ylphenyl)aniline
SMILESNc1ccc(-c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C17H20N2/c18-16-8-4-14(5-9-16)15-6-10-17(11-7-15)19-12-2-1-3-13-19/h4-11H,1-3,12-13,18H2
InChIKeyYFFFZHMGHVIVRQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.93
Rot. Bonds2

About 4-(4-piperidin-1-ylphenyl)aniline

4-(4-piperidin-1-ylphenyl)aniline (PubChem CID 45277459) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylphenyl)aniline.

Molecular Properties

Compound Name4-(4-piperidin-1-ylphenyl)aniline
PubChem CID45277459
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-(4-piperidin-1-ylphenyl)aniline
SMILESNc1ccc(-c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C17H20N2/c18-16-8-4-14(5-9-16)15-6-10-17(11-7-15)19-12-2-1-3-13-19/h4-11H,1-3,12-13,18H2
InChIKeyYFFFZHMGHVIVRQ-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.93
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

4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
pyrrolidine;4-pyrrolidin-1-ylaniline
CID 70136555
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
4-(6-piperidin-1-yl-3-pyridinyl)aniline
CID 82119925
1-(4-methylphenyl)piperidine;4-(2-methylpyrimidin-4-yl)aniline
CID 143520888
4-piperazin-4-ium-1-ylaniline
CID 4608381
1-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
4-(3-methylazepan-1-yl)aniline
CID 23103826
2-(4-pyrrolidin-1-ylphenyl)-1,3-benzoxazol-5-amine
CID 25188057

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylphenyl)aniline?
The IUPAC name of 4-(4-piperidin-1-ylphenyl)aniline (CID 45277459) is 4-(4-piperidin-1-ylphenyl)aniline.
What is the SMILES notation for 4-(4-piperidin-1-ylphenyl)aniline?
The canonical SMILES for 4-(4-piperidin-1-ylphenyl)aniline is Nc1ccc(-c2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-(4-piperidin-1-ylphenyl)aniline?
The InChIKey is YFFFZHMGHVIVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-16-8-4-14(5-9-16)15-6-10-17(11-7-15)19-12-2-1-3-13-19/h4-11H,1-3,12-13,18H2.
What are the key properties of 4-(4-piperidin-1-ylphenyl)aniline?
4-(4-piperidin-1-ylphenyl)aniline has a molecular weight of 252.36 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylphenyl)aniline is sourced from PubChem (CID 45277459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).