4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride

C15H24ClN3O — CID 119922608

IUPAC4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
SMILESCNCC1CCN(Cc2ccc(C(N)=O)cc2)CC1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-17-10-12-6-8-18(9-7-12)11-13-2-4-14(5-3-13)15(16)19;/h2-5,12,17H,6-11H2,1H3,(H2,16,19);1H
InChIKeyAANFHFUKEIXTNN-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.64
Rot. Bonds5

About 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride

4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride (PubChem CID 119922608) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
PubChem CID119922608
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
SMILESCNCC1CCN(Cc2ccc(C(N)=O)cc2)CC1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-17-10-12-6-8-18(9-7-12)11-13-2-4-14(5-3-13)15(16)19;/h2-5,12,17H,6-11H2,1H3,(H2,16,19);1H
InChIKeyAANFHFUKEIXTNN-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63248566
2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 63251014
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-3-nitrobenzamide;hydrochloride
CID 119922282
N-methyl-1-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922494
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
CID 159274096
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride (CID 119922608) is 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride is CNCC1CCN(Cc2ccc(C(N)=O)cc2)CC1.Cl.
What is the InChIKey of 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
The InChIKey is AANFHFUKEIXTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-17-10-12-6-8-18(9-7-12)11-13-2-4-14(5-3-13)15(16)19;/h2-5,12,17H,6-11H2,1H3,(H2,16,19);1H.
What are the key properties of 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride?
4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119922608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).