[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride

C16H25ClN2O4 — CID 119464967

IUPAC[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCCC(CN)C2)c(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-13-7-6-12(14(21-2)15(13)22-3)16(19)18-8-4-5-11(9-17)10-18;/h6-7,11H,4-5,8-10,17H2,1-3H3;1H
InChIKeyIOFBSFPLLFLSTA-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.95
Rot. Bonds5

About [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride (PubChem CID 119464967) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
PubChem CID119464967
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCCC(CN)C2)c(OC)c1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-20-13-7-6-12(14(21-2)15(13)22-3)16(19)18-8-4-5-11(9-17)10-18;/h6-7,11H,4-5,8-10,17H2,1-3H3;1H
InChIKeyIOFBSFPLLFLSTA-UHFFFAOYSA-N
XLogP1.95
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 62069454
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 119464934
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
[3-(bromomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 80661384
(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 60559089
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride (CID 119464967) is [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride is COc1ccc(C(=O)N2CCCC(CN)C2)c(OC)c1OC.Cl.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride?
The InChIKey is IOFBSFPLLFLSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-20-13-7-6-12(14(21-2)15(13)22-3)16(19)18-8-4-5-11(9-17)10-18;/h6-7,11H,4-5,8-10,17H2,1-3H3;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119464967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).