2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride

C14H28ClN3O — CID 119909444

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
SMILESCl.NCC1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H27N3O.ClH/c15-11-13-5-9-16(10-6-13)12-14(18)17-7-3-1-2-4-8-17;/h13H,1-12,15H2;1H
InChIKeyUIUXXYKDLMEESN-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride

2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride (PubChem CID 119909444) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
PubChem CID119909444
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
SMILESCl.NCC1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H27N3O.ClH/c15-11-13-5-9-16(10-6-13)12-14(18)17-7-3-1-2-4-8-17;/h13H,1-12,15H2;1H
InChIKeyUIUXXYKDLMEESN-UHFFFAOYSA-N
XLogP1.48
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride
CID 146676030
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608262
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849774
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064
2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63595543
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride (CID 119909444) is 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride is Cl.NCC1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride?
The InChIKey is UIUXXYKDLMEESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c15-11-13-5-9-16(10-6-13)12-14(18)17-7-3-1-2-4-8-17;/h13H,1-12,15H2;1H.
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride?
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119909444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).