1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol

C23H32N2O2 — CID 3876367

IUPAC1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCCC(C)c1ccc(OCc2ccccc2)c(C(O)CN2CCNCC2)c1
InChIInChI=1S/C23H32N2O2/c1-3-18(2)20-9-10-23(27-17-19-7-5-4-6-8-19)21(15-20)22(26)16-25-13-11-24-12-14-25/h4-10,15,18,22,24,26H,3,11-14,16-17H2,1-2H3
InChIKeyKWWRVZYCSXKCGA-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.72
Rot. Bonds8

About 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol

1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol (PubChem CID 3876367) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
PubChem CID3876367
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
SMILESCCC(C)c1ccc(OCc2ccccc2)c(C(O)CN2CCNCC2)c1
InChIInChI=1S/C23H32N2O2/c1-3-18(2)20-9-10-23(27-17-19-7-5-4-6-8-19)21(15-20)22(26)16-25-13-11-24-12-14-25/h4-10,15,18,22,24,26H,3,11-14,16-17H2,1-2H3
InChIKeyKWWRVZYCSXKCGA-UHFFFAOYSA-N
XLogP3.72
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol
CID 4676253
1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4303694
1-(5-nitro-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4019021
4-butan-2-yl-2-phenylmethoxyphenol
CID 58776827
1-[(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305499
1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 141118408
1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171304822
(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189208
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine
CID 171311115
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189657
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171280600

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol (CID 3876367) is 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol is CCC(C)c1ccc(OCc2ccccc2)c(C(O)CN2CCNCC2)c1.
What is the InChIKey of 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
The InChIKey is KWWRVZYCSXKCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-18(2)20-9-10-23(27-17-19-7-5-4-6-8-19)21(15-20)22(26)16-25-13-11-24-12-14-25/h4-10,15,18,22,24,26H,3,11-14,16-17H2,1-2H3.
What are the key properties of 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol?
1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol has a molecular weight of 368.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 3876367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).