(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

C16H22BrClN2O — CID 63241236

IUPAC(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCC(C)NCC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C16H22BrClN2O/c1-11(2)19-9-12-4-3-7-20(10-12)16(21)14-8-13(17)5-6-15(14)18/h5-6,8,11-12,19H,3-4,7,9-10H2,1-2H3
InChIKeyHGZKBMUXJJLUQI-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.95
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (PubChem CID 63241236) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
PubChem CID63241236
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCC(C)NCC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C16H22BrClN2O/c1-11(2)19-9-12-4-3-7-20(10-12)16(21)14-8-13(17)5-6-15(14)18/h5-6,8,11-12,19H,3-4,7,9-10H2,1-2H3
InChIKeyHGZKBMUXJJLUQI-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-bromo-2-fluorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241370
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
(3-chloro-4-iodophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 103805724
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
(5-bromo-2-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 65309746
(5-bromo-2-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113268886
(4-bromo-2-chlorophenyl)-[3-(2-bromoethyl)piperidin-1-yl]methanone
CID 80669190
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (CID 63241236) is (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is CC(C)NCC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is HGZKBMUXJJLUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-11(2)19-9-12-4-3-7-20(10-12)16(21)14-8-13(17)5-6-15(14)18/h5-6,8,11-12,19H,3-4,7,9-10H2,1-2H3.
What are the key properties of (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 373.72 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 63241236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).