1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one

C16H24N2O2 — CID 119520564

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C16H24N2O2/c1-12(17)14-8-10-18(11-9-14)16(19)13(2)20-15-6-4-3-5-7-15/h3-7,12-14H,8-11,17H2,1-2H3
InChIKeyWOHRHZMABVWZGK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one

1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 119520564) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
PubChem CID119520564
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C16H24N2O2/c1-12(17)14-8-10-18(11-9-14)16(19)13(2)20-15-6-4-3-5-7-15/h3-7,12-14H,8-11,17H2,1-2H3
InChIKeyWOHRHZMABVWZGK-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one
CID 119517559
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one;hydrochloride
CID 119517558
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one (CID 119520564) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is WOHRHZMABVWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(17)14-8-10-18(11-9-14)16(19)13(2)20-15-6-4-3-5-7-15/h3-7,12-14H,8-11,17H2,1-2H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.04, 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-phenoxypropan-1-one is sourced from PubChem (CID 119520564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).