1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone

C19H31N3O — CID 119594160

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCCC(C(C)N)C1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-4-21(5-2)18(16-10-7-6-8-11-16)19(23)22-13-9-12-17(14-22)15(3)20/h6-8,10-11,15,17-18H,4-5,9,12-14,20H2,1-3H3
InChIKeyOVTKYSQZWWITEE-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.66
Rot. Bonds6

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone

1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone (PubChem CID 119594160) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone
PubChem CID119594160
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCCC(C(C)N)C1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-4-21(5-2)18(16-10-7-6-8-11-16)19(23)22-13-9-12-17(14-22)15(3)20/h6-8,10-11,15,17-18H,4-5,9,12-14,20H2,1-3H3
InChIKeyOVTKYSQZWWITEE-UHFFFAOYSA-N
XLogP2.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396244
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethyl-2-phenylbutan-1-one
CID 119594274
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
1-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 56552712
1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 56540283
2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56550201
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119595751
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone (CID 119594160) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone is CCN(CC)C(C(=O)N1CCCC(C(C)N)C1)c1ccccc1.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone?
The InChIKey is OVTKYSQZWWITEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-21(5-2)18(16-10-7-6-8-11-16)19(23)22-13-9-12-17(14-22)15(3)20/h6-8,10-11,15,17-18H,4-5,9,12-14,20H2,1-3H3.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone has a molecular weight of 317.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone is sourced from PubChem (CID 119594160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).