1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone

C15H21ClN2O — CID 63596377

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
SMILESCC(N)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(17)13-6-8-18(9-7-13)15(19)10-12-2-4-14(16)5-3-12/h2-5,11,13H,6-10,17H2,1H3
InChIKeyNVNGMYGNNZTUOW-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.47
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone (PubChem CID 63596377) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
PubChem CID63596377
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
SMILESCC(N)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(17)13-6-8-18(9-7-13)15(19)10-12-2-4-14(16)5-3-12/h2-5,11,13H,6-10,17H2,1H3
InChIKeyNVNGMYGNNZTUOW-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119516648
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119720809
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
CID 119520540
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119720804
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119517535
1-[4-(aminooxymethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 39382607
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone (CID 63596377) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone is CC(N)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone?
The InChIKey is NVNGMYGNNZTUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(17)13-6-8-18(9-7-13)15(19)10-12-2-4-14(16)5-3-12/h2-5,11,13H,6-10,17H2,1H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone has a molecular weight of 280.80 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 63596377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).