(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol

C16H26N2O2 — CID 82891639

IUPAC(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-3-16(19)14-4-6-15(7-5-14)20-13-12-18-10-8-17(2)9-11-18/h4-7,16,19H,3,8-13H2,1-2H3/t16-/m0/s1
InChIKeyHCWQIOVISDXMHV-INIZCTEOSA-N
MW278.40 g/mol
LogP1.76
Rot. Bonds6

About (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol

(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol (PubChem CID 82891639) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol
PubChem CID82891639
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(OCCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N2O2/c1-3-16(19)14-4-6-15(7-5-14)20-13-12-18-10-8-17(2)9-11-18/h4-7,16,19H,3,8-13H2,1-2H3/t16-/m0/s1
InChIKeyHCWQIOVISDXMHV-INIZCTEOSA-N
XLogP1.76
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996187
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
CID 6457262
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
CID 61493838
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol (CID 82891639) is (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccc(OCCN2CCN(C)CC2)cc1.
What is the InChIKey of (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol?
The InChIKey is HCWQIOVISDXMHV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-16(19)14-4-6-15(7-5-14)20-13-12-18-10-8-17(2)9-11-18/h4-7,16,19H,3,8-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol?
(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol is sourced from PubChem (CID 82891639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).