1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C14H21Cl3N2 — CID 120774160

IUPAC1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cc(Cl)ccc2Cl)CCC1N.Cl
InChIInChI=1S/C14H20Cl2N2.ClH/c1-14(2)9-18(6-5-13(14)17)8-10-7-11(15)3-4-12(10)16;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H
InChIKeyXKRKBVQKBLVKNZ-UHFFFAOYSA-N
MW323.69 g/mol
LogP3.97
Rot. Bonds2

About 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120774160) has the molecular formula C14H21Cl3N2 and a molecular weight of 323.69 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120774160
Molecular FormulaC14H21Cl3N2
Molecular Weight323.69 g/mol
Exact Mass322.08
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cc(Cl)ccc2Cl)CCC1N.Cl
InChIInChI=1S/C14H20Cl2N2.ClH/c1-14(2)9-18(6-5-13(14)17)8-10-7-11(15)3-4-12(10)16;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H
InChIKeyXKRKBVQKBLVKNZ-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120782193
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782258
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-3,3-dimethylpiperidin-4-amine
CID 120775638
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774498

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120774160) is 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2cc(Cl)ccc2Cl)CCC1N.Cl.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is XKRKBVQKBLVKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2.ClH/c1-14(2)9-18(6-5-13(14)17)8-10-7-11(15)3-4-12(10)16;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 323.69 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120774160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).