2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

C22H35N3O — CID 119396797

IUPAC2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCN(C(=O)C(C)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O/c1-18(22(26)25-12-6-9-21(17-25)16-23-2)24-13-10-20(11-14-24)15-19-7-4-3-5-8-19/h3-5,7-8,18,20-21,23H,6,9-17H2,1-2H3
InChIKeyMOSLZCXSNSHGNE-UHFFFAOYSA-N
MW357.54 g/mol
LogP2.79
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one

2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 119396797) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID119396797
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCN(C(=O)C(C)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O/c1-18(22(26)25-12-6-9-21(17-25)16-23-2)24-13-10-20(11-14-24)15-19-7-4-3-5-8-19/h3-5,7-8,18,20-21,23H,6,9-17H2,1-2H3
InChIKeyMOSLZCXSNSHGNE-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540343
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023755
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
1-[2-(4-benzylpiperidin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356295
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
3-amino-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 122080186
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
2-benzyl-3-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119539357

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one (CID 119396797) is 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one is CNCC1CCCN(C(=O)C(C)N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is MOSLZCXSNSHGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-18(22(26)25-12-6-9-21(17-25)16-23-2)24-13-10-20(11-14-24)15-19-7-4-3-5-8-19/h3-5,7-8,18,20-21,23H,6,9-17H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one?
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 357.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119396797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).