(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one

C15H20ClNO2 — CID 897812

IUPAC(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H20ClNO2/c1-12(19-14-8-6-7-13(16)11-14)15(18)17-9-4-2-3-5-10-17/h6-8,11-12H,2-5,9-10H2,1H3/t12-/m1/s1
InChIKeyHZRWPZCNXRUXTM-GFCCVEGCSA-N
MW281.78 g/mol
LogP3.51
Rot. Bonds3

About (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one

(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one (PubChem CID 897812) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
PubChem CID897812
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H20ClNO2/c1-12(19-14-8-6-7-13(16)11-14)15(18)17-9-4-2-3-5-10-17/h6-8,11-12H,2-5,9-10H2,1H3/t12-/m1/s1
InChIKeyHZRWPZCNXRUXTM-GFCCVEGCSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
2-(3-chlorophenoxy)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 43001973
2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 112765505
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
1-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 2933143
2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one?
The IUPAC name of (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one (CID 897812) is (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one?
The canonical SMILES for (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one is C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCCCC1.
What is the InChIKey of (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one?
The InChIKey is HZRWPZCNXRUXTM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-12(19-14-8-6-7-13(16)11-14)15(18)17-9-4-2-3-5-10-17/h6-8,11-12H,2-5,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one?
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one is sourced from PubChem (CID 897812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).