1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid

C19H21BrN2O2 — CID 3671647

IUPAC1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCc1cccnc1C(c1ccc(Br)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H21BrN2O2/c1-13-3-2-10-21-17(13)18(14-4-6-16(20)7-5-14)22-11-8-15(9-12-22)19(23)24/h2-7,10,15,18H,8-9,11-12H2,1H3,(H,23,24)
InChIKeyJOZDSBLDLHSJLI-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.04
Rot. Bonds4

About 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid

1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3671647) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
PubChem CID3671647
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCc1cccnc1C(c1ccc(Br)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H21BrN2O2/c1-13-3-2-10-21-17(13)18(14-4-6-16(20)7-5-14)22-11-8-15(9-12-22)19(23)24/h2-7,10,15,18H,8-9,11-12H2,1H3,(H,23,24)
InChIKeyJOZDSBLDLHSJLI-UHFFFAOYSA-N
XLogP4.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3630163
1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5091843
1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid
CID 5161805
1-[(4-bromophenyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5027825
1-[(4-bromophenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3438294
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 4284841
1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4543661
1-[bis(4-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3879435
1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3895312
1-[(3-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4579065
1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3572028
1-[(4-bromophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4266233

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid (CID 3671647) is 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is Cc1cccnc1C(c1ccc(Br)cc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is JOZDSBLDLHSJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-3-2-10-21-17(13)18(14-4-6-16(20)7-5-14)22-11-8-15(9-12-22)19(23)24/h2-7,10,15,18H,8-9,11-12H2,1H3,(H,23,24).
What are the key properties of 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 389.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3671647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).