(3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one

C22H26ClNO3 — CID 25279258

IUPAC(3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCN(C(=O)C[C@H](c2cccc(O)c2)c2ccccc2Cl)CC1
InChIInChI=1S/C22H26ClNO3/c1-27-15-16-9-11-24(12-10-16)22(26)14-20(17-5-4-6-18(25)13-17)19-7-2-3-8-21(19)23/h2-8,13,16,20,25H,9-12,14-15H2,1H3/t20-/m1/s1
InChIKeyFMAXNXZXXIKGEE-HXUWFJFHSA-N
MW387.91 g/mol
LogP4.45
Rot. Bonds6

About (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one

(3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 25279258) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID25279258
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name(3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCN(C(=O)C[C@H](c2cccc(O)c2)c2ccccc2Cl)CC1
InChIInChI=1S/C22H26ClNO3/c1-27-15-16-9-11-24(12-10-16)22(26)14-20(17-5-4-6-18(25)13-17)19-7-2-3-8-21(19)23/h2-8,13,16,20,25H,9-12,14-15H2,1H3/t20-/m1/s1
InChIKeyFMAXNXZXXIKGEE-HXUWFJFHSA-N
XLogP4.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 42245855
1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one
CID 45181483
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide
CID 45204131
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
1-(3-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutane-1,4-dione
CID 71984258
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 45228203
1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121091399
1-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10005964

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one (CID 25279258) is (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one is COCC1CCN(C(=O)C[C@H](c2cccc(O)c2)c2ccccc2Cl)CC1.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is FMAXNXZXXIKGEE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26ClNO3/c1-27-15-16-9-11-24(12-10-16)22(26)14-20(17-5-4-6-18(25)13-17)19-7-2-3-8-21(19)23/h2-8,13,16,20,25H,9-12,14-15H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
(3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 387.91 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 25279258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).