4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline

C24H33N3 — CID 89182130

IUPAC4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
SMILESCc1ccc(N2CCC(CC3CCN(c4ccc(N)cc4)CC3)CC2)cc1
InChIInChI=1S/C24H33N3/c1-19-2-6-23(7-3-19)26-14-10-20(11-15-26)18-21-12-16-27(17-13-21)24-8-4-22(25)5-9-24/h2-9,20-21H,10-18,25H2,1H3
InChIKeyWWVSFRLSGHXAOY-UHFFFAOYSA-N
MW363.55 g/mol
LogP5.10
Rot. Bonds4

About 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline

4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline (PubChem CID 89182130) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline.

Molecular Properties

Compound Name4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
PubChem CID89182130
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
SMILESCc1ccc(N2CCC(CC3CCN(c4ccc(N)cc4)CC3)CC2)cc1
InChIInChI=1S/C24H33N3/c1-19-2-6-23(7-3-19)26-14-10-20(11-15-26)18-21-12-16-27(17-13-21)24-8-4-22(25)5-9-24/h2-9,20-21H,10-18,25H2,1H3
InChIKeyWWVSFRLSGHXAOY-UHFFFAOYSA-N
XLogP5.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-methylphenyl)piperidin-4-yl]acetonitrile
CID 117003604
4-butyl-1-(4-methylphenyl)piperidine
CID 54491585
ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate
CID 1472673
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
CID 19804348
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044
4-(4-azabicyclo[5.1.0]octan-4-yl)aniline
CID 70313854
1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine
CID 171070054
[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 45184102

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline?
The IUPAC name of 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline (CID 89182130) is 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline.
What is the SMILES notation for 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline?
The canonical SMILES for 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline is Cc1ccc(N2CCC(CC3CCN(c4ccc(N)cc4)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline?
The InChIKey is WWVSFRLSGHXAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c1-19-2-6-23(7-3-19)26-14-10-20(11-15-26)18-21-12-16-27(17-13-21)24-8-4-22(25)5-9-24/h2-9,20-21H,10-18,25H2,1H3.
What are the key properties of 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline?
4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline has a molecular weight of 363.55 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline is sourced from PubChem (CID 89182130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).