6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol

C17H28N2O2 — CID 106802258

IUPAC6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H28N2O2/c1-3-16(20)5-4-10-18-11-13-19(14-12-18)15-6-8-17(21-2)9-7-15/h6-9,16,20H,3-5,10-14H2,1-2H3
InChIKeyLLMPBBMEVGTFJF-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.37
Rot. Bonds7

About 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol

6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol (PubChem CID 106802258) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
PubChem CID106802258
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
SMILESCCC(O)CCCN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H28N2O2/c1-3-16(20)5-4-10-18-11-13-19(14-12-18)15-6-8-17(21-2)9-7-15/h6-9,16,20H,3-5,10-14H2,1-2H3
InChIKeyLLMPBBMEVGTFJF-UHFFFAOYSA-N
XLogP2.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62425678
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol;dihydrochloride
CID 14422870
[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride
CID 141019584

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol?
The IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol (CID 106802258) is 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol?
The canonical SMILES for 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol is CCC(O)CCCN1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol?
The InChIKey is LLMPBBMEVGTFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-16(20)5-4-10-18-11-13-19(14-12-18)15-6-8-17(21-2)9-7-15/h6-9,16,20H,3-5,10-14H2,1-2H3.
What are the key properties of 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol?
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol has a molecular weight of 292.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol is sourced from PubChem (CID 106802258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).