2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone

C17H26N2O — CID 63590690

IUPAC2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCN(C(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-3-14-8-10-19(11-9-14)17(20)12-15-4-6-16(13-18)7-5-15/h4-7,14H,2-3,8-13,18H2,1H3
InChIKeyXUVZENIGZNXXAP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.73
Rot. Bonds5

About 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone

2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone (PubChem CID 63590690) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone
PubChem CID63590690
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCN(C(=O)Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-3-14-8-10-19(11-9-14)17(20)12-15-4-6-16(13-18)7-5-15/h4-7,14H,2-3,8-13,18H2,1H3
InChIKeyXUVZENIGZNXXAP-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
CID 63591376
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 55214674
2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 63589421
[4-(4-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 62204890
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698261
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
4-[2-[(3R)-3-ethylpyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470742
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone (CID 63590690) is 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone is CCCC1CCN(C(=O)Cc2ccc(CN)cc2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone?
The InChIKey is XUVZENIGZNXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-14-8-10-19(11-9-14)17(20)12-15-4-6-16(13-18)7-5-15/h4-7,14H,2-3,8-13,18H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone?
2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone has a molecular weight of 274.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63590690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).