4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline

C16H24Cl2N2 — CID 82841493

IUPAC4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline
SMILESCC(C)(C)C1CCN(Cc2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C16H24Cl2N2/c1-16(2,3)12-4-6-20(7-5-12)10-11-8-13(17)15(19)14(18)9-11/h8-9,12H,4-7,10,19H2,1-3H3
InChIKeyMEERGIDUSMMFQW-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.83
Rot. Bonds2

About 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline

4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline (PubChem CID 82841493) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline.

Molecular Properties

Compound Name4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline
PubChem CID82841493
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline
SMILESCC(C)(C)C1CCN(Cc2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C16H24Cl2N2/c1-16(2,3)12-4-6-20(7-5-12)10-11-8-13(17)15(19)14(18)9-11/h8-9,12H,4-7,10,19H2,1-3H3
InChIKeyMEERGIDUSMMFQW-UHFFFAOYSA-N
XLogP4.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.83
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

2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
CID 82841136
3-[(4-tert-butylazepan-1-yl)methyl]-5-methoxyaniline
CID 81145134
4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine
CID 153484507
3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 62091793
2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 82986743
4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928
2,6-dichloro-4-(1,4-thiazepan-4-ylmethyl)aniline
CID 82832971
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
CID 63088019
3-bromo-5-[(4-tert-butylpiperidin-1-yl)methyl]pyridine
CID 115630376
3-[(4-tert-butylpiperidin-1-yl)methyl]-5-fluoropyridine
CID 70894132
5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 62084010
4-[(4-tert-butylpiperidin-1-yl)methyl]-N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 166564880

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline?
The IUPAC name of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline (CID 82841493) is 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline.
What is the SMILES notation for 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline?
The canonical SMILES for 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline is CC(C)(C)C1CCN(Cc2cc(Cl)c(N)c(Cl)c2)CC1.
What is the InChIKey of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline?
The InChIKey is MEERGIDUSMMFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-16(2,3)12-4-6-20(7-5-12)10-11-8-13(17)15(19)14(18)9-11/h8-9,12H,4-7,10,19H2,1-3H3.
What are the key properties of 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline?
4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline has a molecular weight of 315.29 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline is sourced from PubChem (CID 82841493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).