(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

C14H22BrCl2N3O — CID 119646070

IUPAC(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(Br)cn2)CC1.Cl.Cl
InChIInChI=1S/C14H20BrN3O.2ClH/c1-2-16-9-11-5-7-18(8-6-11)14(19)13-4-3-12(15)10-17-13;;/h3-4,10-11,16H,2,5-9H2,1H3;2*1H
InChIKeyJBBROSMQZSBDCG-UHFFFAOYSA-N
MW399.16 g/mol
LogP3.15
Rot. Bonds4

About (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119646070) has the molecular formula C14H22BrCl2N3O and a molecular weight of 399.16 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119646070
Molecular FormulaC14H22BrCl2N3O
Molecular Weight399.16 g/mol
Exact Mass397.03
IUPAC Name(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(Br)cn2)CC1.Cl.Cl
InChIInChI=1S/C14H20BrN3O.2ClH/c1-2-16-9-11-5-7-18(8-6-11)14(19)13-4-3-12(15)10-17-13;;/h3-4,10-11,16H,2,5-9H2,1H3;2*1H
InChIKeyJBBROSMQZSBDCG-UHFFFAOYSA-N
XLogP3.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119623323
(5-bromo-2-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540200
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 119647808
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119646070) is (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is CCNCC1CCN(C(=O)c2ccc(Br)cn2)CC1.Cl.Cl.
What is the InChIKey of (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is JBBROSMQZSBDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O.2ClH/c1-2-16-9-11-5-7-18(8-6-11)14(19)13-4-3-12(15)10-17-13;;/h3-4,10-11,16H,2,5-9H2,1H3;2*1H.
What are the key properties of (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 399.16 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119646070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).