(2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol

C20H25ClN2O3 — CID 2054996

IUPAC(2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccccc1N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2O3/c1-25-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-17(24)15-26-18-8-6-16(21)7-9-18/h2-9,17,24H,10-15H2,1H3/t17-/m0/s1
InChIKeyNDUSJNOYJWUGOE-KRWDZBQOSA-N
MW376.88 g/mol
LogP2.91
Rot. Bonds7

About (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol

(2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 2054996) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
PubChem CID2054996
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name(2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccccc1N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2O3/c1-25-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-17(24)15-26-18-8-6-16(21)7-9-18/h2-9,17,24H,10-15H2,1H3/t17-/m0/s1
InChIKeyNDUSJNOYJWUGOE-KRWDZBQOSA-N
XLogP2.91
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol (CID 2054996) is (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol is COc1ccccc1N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is NDUSJNOYJWUGOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-25-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-17(24)15-26-18-8-6-16(21)7-9-18/h2-9,17,24H,10-15H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol?
(2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 376.88 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2054996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).