(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride

C17H29Cl2N3O — CID 119374740

IUPAC(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
SMILESCCCCN(C)c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-3-4-11-19(2)16-7-5-14(6-8-16)17(21)20-12-9-15(18)10-13-20;;/h5-8,15H,3-4,9-13,18H2,1-2H3;2*1H
InChIKeyQFJLMCFVSDIUGC-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.33
Rot. Bonds5

About (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride

(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride (PubChem CID 119374740) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
PubChem CID119374740
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
SMILESCCCCN(C)c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-3-4-11-19(2)16-7-5-14(6-8-16)17(21)20-12-9-15(18)10-13-20;;/h5-8,15H,3-4,9-13,18H2,1-2H3;2*1H
InChIKeyQFJLMCFVSDIUGC-UHFFFAOYSA-N
XLogP3.33
TPSA49.57 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-[butyl(methyl)amino]benzoyl]piperidin-4-yl]-2-fluoroacetamide
CID 126830333
[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119564141
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
CID 119381942
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119409534
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
3-amino-N-[[1-[4-[butyl(methyl)amino]benzoyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578968
[4-[butyl(methyl)amino]phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 126830084
[4-(dimethylamino)azepan-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77086648
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone
CID 126838819

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride (CID 119374740) is (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride is CCCCN(C)c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride?
The InChIKey is QFJLMCFVSDIUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-3-4-11-19(2)16-7-5-14(6-8-16)17(21)20-12-9-15(18)10-13-20;;/h5-8,15H,3-4,9-13,18H2,1-2H3;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride is sourced from PubChem (CID 119374740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).