3-(1-phenyl-7-piperidin-1-ylheptyl)aniline

C24H34N2 — CID 70534760

IUPAC3-(1-phenyl-7-piperidin-1-ylheptyl)aniline
SMILESNc1cccc(C(CCCCCCN2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C24H34N2/c25-23-15-11-14-22(20-23)24(21-12-5-3-6-13-21)16-7-1-2-8-17-26-18-9-4-10-19-26/h3,5-6,11-15,20,24H,1-2,4,7-10,16-19,25H2
InChIKeyRBEVLTUBKXIHST-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.84
Rot. Bonds9

About 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline

3-(1-phenyl-7-piperidin-1-ylheptyl)aniline (PubChem CID 70534760) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline.

Molecular Properties

Compound Name3-(1-phenyl-7-piperidin-1-ylheptyl)aniline
PubChem CID70534760
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name3-(1-phenyl-7-piperidin-1-ylheptyl)aniline
SMILESNc1cccc(C(CCCCCCN2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C24H34N2/c25-23-15-11-14-22(20-23)24(21-12-5-3-6-13-21)16-7-1-2-8-17-26-18-9-4-10-19-26/h3,5-6,11-15,20,24H,1-2,4,7-10,16-19,25H2
InChIKeyRBEVLTUBKXIHST-UHFFFAOYSA-N
XLogP5.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6,6-diphenylhexyl)piperidine
CID 161365973
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
3-pyrrolidin-1-ylpropyl 2-(3-aminophenyl)propanoate
CID 106592484
1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
CID 71384087
5,5-diphenyl-1-piperidin-1-ylpentan-1-amine
CID 56991990
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
N-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2,2-diphenylacetamide
CID 121348094

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline?
The IUPAC name of 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline (CID 70534760) is 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline.
What is the SMILES notation for 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline?
The canonical SMILES for 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline is Nc1cccc(C(CCCCCCN2CCCCC2)c2ccccc2)c1.
What is the InChIKey of 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline?
The InChIKey is RBEVLTUBKXIHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c25-23-15-11-14-22(20-23)24(21-12-5-3-6-13-21)16-7-1-2-8-17-26-18-9-4-10-19-26/h3,5-6,11-15,20,24H,1-2,4,7-10,16-19,25H2.
What are the key properties of 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline?
3-(1-phenyl-7-piperidin-1-ylheptyl)aniline has a molecular weight of 350.55 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyl-7-piperidin-1-ylheptyl)aniline is sourced from PubChem (CID 70534760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).