1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol

C14H22N2O2 — CID 82755808

IUPAC1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
SMILESCOc1cccc(C(O)CN2CCNC[C@@H]2C)c1
InChIInChI=1S/C14H22N2O2/c1-11-9-15-6-7-16(11)10-14(17)12-4-3-5-13(8-12)18-2/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3/t11-,14?/m0/s1
InChIKeyHTMWDKNUQWJRPF-ZSOXZCCMSA-N
MW250.34 g/mol
LogP1.02
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol

1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol (PubChem CID 82755808) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
PubChem CID82755808
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
SMILESCOc1cccc(C(O)CN2CCNC[C@@H]2C)c1
InChIInChI=1S/C14H22N2O2/c1-11-9-15-6-7-16(11)10-14(17)12-4-3-5-13(8-12)18-2/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3/t11-,14?/m0/s1
InChIKeyHTMWDKNUQWJRPF-ZSOXZCCMSA-N
XLogP1.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 81133473
2-(2,6-dimethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81133921
2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol
CID 82755402
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134628
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197650
(2S)-2-methyl-1-[(2R)-2-phenylpropyl]piperazine
CID 96906178
1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
CID 83978094
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
CID 112539363
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057
1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine
CID 129493110
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol (CID 82755808) is 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol is COc1cccc(C(O)CN2CCNC[C@@H]2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol?
The InChIKey is HTMWDKNUQWJRPF-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-9-15-6-7-16(11)10-14(17)12-4-3-5-13(8-12)18-2/h3-5,8,11,14-15,17H,6-7,9-10H2,1-2H3/t11-,14?/m0/s1.
What are the key properties of 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol?
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol is sourced from PubChem (CID 82755808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).