2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline

C14H20Cl2N2 — CID 82841136

IUPAC2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
SMILESCC1(C)CCN(Cc2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C14H20Cl2N2/c1-14(2)3-5-18(6-4-14)9-10-7-11(15)13(17)12(16)8-10/h7-8H,3-6,9,17H2,1-2H3
InChIKeyOFNJAVPNLQRYBB-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.20
Rot. Bonds2

About 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline

2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline (PubChem CID 82841136) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
PubChem CID82841136
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
SMILESCC1(C)CCN(Cc2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C14H20Cl2N2/c1-14(2)3-5-18(6-4-14)9-10-7-11(15)13(17)12(16)8-10/h7-8H,3-6,9,17H2,1-2H3
InChIKeyOFNJAVPNLQRYBB-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.20
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-[(4-tert-butylpiperidin-1-yl)methyl]-2,6-dichloroaniline
CID 82841493
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
2,6-dichloro-4-(1,4-thiazepan-4-ylmethyl)aniline
CID 82832971
4-chloro-2-[(4,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582875
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
4-[(4,4-dimethylazepan-1-yl)methyl]-2-fluoroaniline
CID 65282779
2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
CID 79251522
2-amino-4-[(4,4-dimethylazepan-1-yl)methyl]phenol
CID 65283266
4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine
CID 118657687
1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 63457847
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline (CID 82841136) is 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline is CC1(C)CCN(Cc2cc(Cl)c(N)c(Cl)c2)CC1.
What is the InChIKey of 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline?
The InChIKey is OFNJAVPNLQRYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-14(2)3-5-18(6-4-14)9-10-7-11(15)13(17)12(16)8-10/h7-8H,3-6,9,17H2,1-2H3.
What are the key properties of 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline?
2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline has a molecular weight of 287.23 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 82841136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).