1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride

C15H22Cl2N2O2 — CID 119518980

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)COc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-11(17)12-6-8-18(9-7-12)15(19)10-20-14-5-3-2-4-13(14)16;/h2-5,11-12H,6-10,17H2,1H3;1H
InChIKeyNVOZKWPHMIXWPW-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride (PubChem CID 119518980) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride
PubChem CID119518980
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)COc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-11(17)12-6-8-18(9-7-12)15(19)10-20-14-5-3-2-4-13(14)16;/h2-5,11-12H,6-10,17H2,1H3;1H
InChIKeyNVOZKWPHMIXWPW-UHFFFAOYSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 119520913
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
CID 119520540
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chloro-4-fluorophenoxy)ethanone;hydrochloride
CID 119518644
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920819
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 103822577
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-phenylphenoxy)propan-1-one;hydrochloride
CID 119519550
N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34355028
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119517242
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride (CID 119518980) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride is CC(N)C1CCN(C(=O)COc2ccccc2Cl)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride?
The InChIKey is NVOZKWPHMIXWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-11(17)12-6-8-18(9-7-12)15(19)10-20-14-5-3-2-4-13(14)16;/h2-5,11-12H,6-10,17H2,1H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride is sourced from PubChem (CID 119518980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).