1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone

C16H21NO3 — CID 114520610

IUPAC1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H21NO3/c18-16(11-19-13-7-9-17-10-8-13)12-1-3-14(4-2-12)20-15-5-6-15/h1-4,13,15,17H,5-11H2
InChIKeyZKLDRRNRVRRCGA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.18
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone

1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone (PubChem CID 114520610) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
PubChem CID114520610
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H21NO3/c18-16(11-19-13-7-9-17-10-8-13)12-1-3-14(4-2-12)20-15-5-6-15/h1-4,13,15,17H,5-11H2
InChIKeyZKLDRRNRVRRCGA-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
CID 116571152
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-4-yloxyethanone
CID 116571072
1-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethanone
CID 43798677
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
2-piperidin-4-yloxy-1-quinolin-7-ylethanone
CID 116571031
1-(2-chlorophenyl)-2-piperidin-4-yloxyethanone
CID 116570961
(2,2,2-trifluoroacetyl) 4-piperidin-4-yloxybenzoate
CID 123933976
1-(4-cyclopropyloxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 114520679
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
2-(4-piperidin-4-yloxyphenyl)acetaldehyde
CID 90039130

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone (CID 114520610) is 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone is O=C(COC1CCNCC1)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone?
The InChIKey is ZKLDRRNRVRRCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(11-19-13-7-9-17-10-8-13)12-1-3-14(4-2-12)20-15-5-6-15/h1-4,13,15,17H,5-11H2.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone?
1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone has a molecular weight of 275.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 114520610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).