1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol

C22H30N2O2 — CID 4676253

IUPAC1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol
SMILESCCCc1ccc(OCc2ccccc2)c(C(O)CN2CCNCC2)c1
InChIInChI=1S/C22H30N2O2/c1-2-6-18-9-10-22(26-17-19-7-4-3-5-8-19)20(15-18)21(25)16-24-13-11-23-12-14-24/h3-5,7-10,15,21,23,25H,2,6,11-14,16-17H2,1H3
InChIKeyTXBVNMVVPANDRI-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.16
Rot. Bonds8

About 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol

1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol (PubChem CID 4676253) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol
PubChem CID4676253
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol
SMILESCCCc1ccc(OCc2ccccc2)c(C(O)CN2CCNCC2)c1
InChIInChI=1S/C22H30N2O2/c1-2-6-18-9-10-22(26-17-19-7-4-3-5-8-19)20(15-18)21(25)16-24-13-11-23-12-14-24/h3-5,7-10,15,21,23,25H,2,6,11-14,16-17H2,1H3
InChIKeyTXBVNMVVPANDRI-UHFFFAOYSA-N
XLogP3.16
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 3876367
1-(5-nitro-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4019021
1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4303694
1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 141118408
1-[(1R)-1-(2-phenylmethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171295565
5-[2-(1,4-diazepan-1-yl)ethyl]-2-phenylmethoxyaniline
CID 82256290
2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol
CID 82263109
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
1-[(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305499
1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol
CID 57295801
1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
CID 118142400
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171280598

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol (CID 4676253) is 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol is CCCc1ccc(OCc2ccccc2)c(C(O)CN2CCNCC2)c1.
What is the InChIKey of 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is TXBVNMVVPANDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-6-18-9-10-22(26-17-19-7-4-3-5-8-19)20(15-18)21(25)16-24-13-11-23-12-14-24/h3-5,7-10,15,21,23,25H,2,6,11-14,16-17H2,1H3.
What are the key properties of 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol?
1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 354.49 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 4676253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).