1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine

C14H20Cl2N2 — CID 120775322

IUPAC1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2ccc(Cl)c(Cl)c2)CCC1N
InChIInChI=1S/C14H20Cl2N2/c1-14(2)9-18(6-5-13(14)17)8-10-3-4-11(15)12(16)7-10/h3-4,7,13H,5-6,8-9,17H2,1-2H3
InChIKeyZTSOLHYTOMYZBU-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.55
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120775322) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120775322
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2ccc(Cl)c(Cl)c2)CCC1N
InChIInChI=1S/C14H20Cl2N2/c1-14(2)9-18(6-5-13(14)17)8-10-3-4-11(15)12(16)7-10/h3-4,7,13H,5-6,8-9,17H2,1-2H3
InChIKeyZTSOLHYTOMYZBU-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol
CID 120781423
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120775322) is 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(Cc2ccc(Cl)c(Cl)c2)CCC1N.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is ZTSOLHYTOMYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-14(2)9-18(6-5-13(14)17)8-10-3-4-11(15)12(16)7-10/h3-4,7,13H,5-6,8-9,17H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 287.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120775322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).