[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride

C17H29Cl2N3O — CID 119564141

IUPAC[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)N2CCC(NC)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-4-11-19(3)16-7-5-14(6-8-16)17(21)20-12-9-15(18-2)10-13-20;;/h5-8,15,18H,4,9-13H2,1-3H3;2*1H
InChIKeyFWNJCRPKGSNPRR-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.20
Rot. Bonds5

About [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride

[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride (PubChem CID 119564141) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
PubChem CID119564141
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)N2CCC(NC)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-4-11-19(3)16-7-5-14(6-8-16)17(21)20-12-9-15(18-2)10-13-20;;/h5-8,15,18H,4,9-13H2,1-3H3;2*1H
InChIKeyFWNJCRPKGSNPRR-UHFFFAOYSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502
(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
CID 119374740
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 136579646
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
[4-[ethyl(propyl)amino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119487943
(2S)-1-[4-[methyl(propyl)amino]benzoyl]pyrrolidine-2-carboxylic acid
CID 119366172
2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide
CID 126830333
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
[4-(dimethylamino)azepan-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77086648
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride (CID 119564141) is [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride is CCCN(C)c1ccc(C(=O)N2CCC(NC)CC2)cc1.Cl.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride?
The InChIKey is FWNJCRPKGSNPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-4-11-19(3)16-7-5-14(6-8-16)17(21)20-12-9-15(18-2)10-13-20;;/h5-8,15,18H,4,9-13H2,1-3H3;2*1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride?
[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride is sourced from PubChem (CID 119564141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).