1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one

C17H22ClNO2 — CID 110611152

IUPAC1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one
SMILESCC(C(=O)N1CCC(Oc2cccc(Cl)c2)CC1)C1CC1
InChIInChI=1S/C17H22ClNO2/c1-12(13-5-6-13)17(20)19-9-7-15(8-10-19)21-16-4-2-3-14(18)11-16/h2-4,11-13,15H,5-10H2,1H3
InChIKeyWCZYXONUVOYHSI-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.76
Rot. Bonds4

About 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one

1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one (PubChem CID 110611152) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one
PubChem CID110611152
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one
SMILESCC(C(=O)N1CCC(Oc2cccc(Cl)c2)CC1)C1CC1
InChIInChI=1S/C17H22ClNO2/c1-12(13-5-6-13)17(20)19-9-7-15(8-10-19)21-16-4-2-3-14(18)11-16/h2-4,11-13,15H,5-10H2,1H3
InChIKeyWCZYXONUVOYHSI-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one?
The IUPAC name of 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one (CID 110611152) is 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one is CC(C(=O)N1CCC(Oc2cccc(Cl)c2)CC1)C1CC1.
What is the InChIKey of 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one?
The InChIKey is WCZYXONUVOYHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-12(13-5-6-13)17(20)19-9-7-15(8-10-19)21-16-4-2-3-14(18)11-16/h2-4,11-13,15H,5-10H2,1H3.
What are the key properties of 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one?
1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one has a molecular weight of 307.82 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenoxy)piperidin-1-yl]-2-cyclopropylpropan-1-one is sourced from PubChem (CID 110611152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).