(3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone

C14H19BrN2O — CID 115269950

IUPAC(3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone
SMILESCC1(C)CCN(C(=O)c2ccc(Br)cc2)CC1N
InChIInChI=1S/C14H19BrN2O/c1-14(2)7-8-17(9-12(14)16)13(18)10-3-5-11(15)6-4-10/h3-6,12H,7-9,16H2,1-2H3
InChIKeyPOKAXAGZWAIGNQ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.65
Rot. Bonds1

About (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone

(3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone (PubChem CID 115269950) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone
PubChem CID115269950
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone
SMILESCC1(C)CCN(C(=O)c2ccc(Br)cc2)CC1N
InChIInChI=1S/C14H19BrN2O/c1-14(2)7-8-17(9-12(14)16)13(18)10-3-5-11(15)6-4-10/h3-6,12H,7-9,16H2,1-2H3
InChIKeyPOKAXAGZWAIGNQ-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone?
The IUPAC name of (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone (CID 115269950) is (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone is CC1(C)CCN(C(=O)c2ccc(Br)cc2)CC1N.
What is the InChIKey of (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone?
The InChIKey is POKAXAGZWAIGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-14(2)7-8-17(9-12(14)16)13(18)10-3-5-11(15)6-4-10/h3-6,12H,7-9,16H2,1-2H3.
What are the key properties of (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone?
(3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone has a molecular weight of 311.22 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,4-dimethylpiperidin-1-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 115269950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).