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

C14H28ClN3O — CID 119909747

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1CCCCN1C(=O)CN1CCC(CN)CC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-12-4-2-3-7-17(12)14(18)11-16-8-5-13(10-15)6-9-16;/h12-13H,2-11,15H2,1H3;1H
InChIKeyKDOJGFSWZBLXES-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.48
Rot. Bonds3

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

2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119909747) 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-(2-methylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119909747
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1CCCCN1C(=O)CN1CCC(CN)CC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-12-4-2-3-7-17(12)14(18)11-16-8-5-13(10-15)6-9-16;/h12-13H,2-11,15H2,1H3;1H
InChIKeyKDOJGFSWZBLXES-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-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 42542254
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119917745
7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride
CID 119851377
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
2-[4-(aminomethyl)piperidin-1-yl]-1-cyclopentylethanone;hydrochloride
CID 146676030
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
2-(4-amino-3-ethylpiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 81458745

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride (CID 119909747) is 2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride is CC1CCCCN1C(=O)CN1CCC(CN)CC1.Cl.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is KDOJGFSWZBLXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c1-12-4-2-3-7-17(12)14(18)11-16-8-5-13(10-15)6-9-16;/h12-13H,2-11,15H2,1H3;1H.
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride?
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-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-(2-methylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119909747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).