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

C15H22BrCl2N3O — CID 119623323

IUPAC(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(Br)cn1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20BrN3O.2ClH/c16-12-3-4-14(18-10-12)15(20)19-7-5-13(6-8-19)17-9-11-1-2-11;;/h3-4,10-11,13,17H,1-2,5-9H2;2*1H
InChIKeyUYSLRDZDXZVKHA-UHFFFAOYSA-N
MW411.17 g/mol
LogP3.29
Rot. Bonds4

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

(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119623323) has the molecular formula C15H22BrCl2N3O and a molecular weight of 411.17 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119623323
Molecular FormulaC15H22BrCl2N3O
Molecular Weight411.17 g/mol
Exact Mass409.03
IUPAC Name(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1ccc(Br)cn1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20BrN3O.2ClH/c16-12-3-4-14(18-10-12)15(20)19-7-5-13(6-8-19)17-9-11-1-2-11;;/h3-4,10-11,13,17H,1-2,5-9H2;2*1H
InChIKeyUYSLRDZDXZVKHA-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070
(5-bromo-2-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540200
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
N-(5-bromo-2-pyridinyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681
2-(4-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623627
(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119625337
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
(2-bromo-5-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119625303
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119622124
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride (CID 119623323) is (5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride is Cl.Cl.O=C(c1ccc(Br)cn1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is UYSLRDZDXZVKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O.2ClH/c16-12-3-4-14(18-10-12)15(20)19-7-5-13(6-8-19)17-9-11-1-2-11;;/h3-4,10-11,13,17H,1-2,5-9H2;2*1H.
What are the key properties of (5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride?
(5-bromo-2-pyridinyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 411.17 g/mol, XLogP of 3.29, 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-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119623323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).