1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine

C16H25BrN2 — CID 116906846

IUPAC1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
SMILESCc1ccc(Br)cc1C(CC1CCCNC1)N(C)C
InChIInChI=1S/C16H25BrN2/c1-12-6-7-14(17)10-15(12)16(19(2)3)9-13-5-4-8-18-11-13/h6-7,10,13,16,18H,4-5,8-9,11H2,1-3H3
InChIKeyCKNWUZLQGQCJRN-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.75
Rot. Bonds4

About 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine

1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine (PubChem CID 116906846) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
PubChem CID116906846
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
SMILESCc1ccc(Br)cc1C(CC1CCCNC1)N(C)C
InChIInChI=1S/C16H25BrN2/c1-12-6-7-14(17)10-15(12)16(19(2)3)9-13-5-4-8-18-11-13/h6-7,10,13,16,18H,4-5,8-9,11H2,1-3H3
InChIKeyCKNWUZLQGQCJRN-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906891
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753
1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906841
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906876
1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832
N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160585
2-(5-bromo-2-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209713
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 120849544
1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906835
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
CID 116909703
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine (CID 116906846) is 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine is Cc1ccc(Br)cc1C(CC1CCCNC1)N(C)C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The InChIKey is CKNWUZLQGQCJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12-6-7-14(17)10-15(12)16(19(2)3)9-13-5-4-8-18-11-13/h6-7,10,13,16,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine has a molecular weight of 325.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116906846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).