(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid

C12H15BrN2O2 — CID 66853257

IUPAC(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid
SMILESO=C(O)N(c1ccc(Br)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-5-10(6-4-9)15(12(16)17)11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8H2,(H,16,17)/t11-/m1/s1
InChIKeyKUXSHDGVIAIEFH-LLVKDONJSA-N
MW299.17 g/mol
LogP2.69
Rot. Bonds2

About (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid

(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid (PubChem CID 66853257) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid
PubChem CID66853257
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid
SMILESO=C(O)N(c1ccc(Br)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-5-10(6-4-9)15(12(16)17)11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8H2,(H,16,17)/t11-/m1/s1
InChIKeyKUXSHDGVIAIEFH-LLVKDONJSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid?
The IUPAC name of (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid (CID 66853257) is (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid.
What is the SMILES notation for (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid?
The canonical SMILES for (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid is O=C(O)N(c1ccc(Br)cc1)[C@@H]1CCCNC1.
What is the InChIKey of (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid?
The InChIKey is KUXSHDGVIAIEFH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-3-5-10(6-4-9)15(12(16)17)11-2-1-7-14-8-11/h3-6,11,14H,1-2,7-8H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid?
(4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid has a molecular weight of 299.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(3R)-piperidin-3-yl]carbamic acid is sourced from PubChem (CID 66853257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).