(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C15H21BrN2O — CID 80551597

IUPAC(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2O/c1-2-17-11-12-7-9-18(10-8-12)15(19)13-3-5-14(16)6-4-13/h3-6,12,17H,2,7-11H2,1H3
InChIKeyUDYXZQUGHXTPKT-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.91
Rot. Bonds4

About (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 80551597) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID80551597
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2O/c1-2-17-11-12-7-9-18(10-8-12)15(19)13-3-5-14(16)6-4-13/h3-6,12,17H,2,7-11H2,1H3
InChIKeyUDYXZQUGHXTPKT-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
1,3-benzodioxol-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80546008
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 80551597) is (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is UDYXZQUGHXTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-17-11-12-7-9-18(10-8-12)15(19)13-3-5-14(16)6-4-13/h3-6,12,17H,2,7-11H2,1H3.
What are the key properties of (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 325.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80551597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).