3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol

C26H44N4O2 — CID 143081422

IUPAC3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol
SMILESCCCCOc1ccc(N2CCN(C3CCC(N4CCN(CCCO)CC4)CC3)C2)cc1
InChIInChI=1S/C26H44N4O2/c1-2-3-21-32-26-11-9-25(10-12-26)30-19-18-29(22-30)24-7-5-23(6-8-24)28-16-14-27(15-17-28)13-4-20-31/h9-12,23-24,31H,2-8,13-22H2,1H3
InChIKeyHFKJKXFTPLTGSA-UHFFFAOYSA-N
MW444.66 g/mol
LogP3.26
Rot. Bonds10

About 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol

3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol (PubChem CID 143081422) has the molecular formula C26H44N4O2 and a molecular weight of 444.66 g/mol. Its IUPAC name is 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol
PubChem CID143081422
Molecular FormulaC26H44N4O2
Molecular Weight444.66 g/mol
Exact Mass444.35
IUPAC Name3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol
SMILESCCCCOc1ccc(N2CCN(C3CCC(N4CCN(CCCO)CC4)CC3)C2)cc1
InChIInChI=1S/C26H44N4O2/c1-2-3-21-32-26-11-9-25(10-12-26)30-19-18-29(22-30)24-7-5-23(6-8-24)28-16-14-27(15-17-28)13-4-20-31/h9-12,23-24,31H,2-8,13-22H2,1H3
InChIKeyHFKJKXFTPLTGSA-UHFFFAOYSA-N
XLogP3.26
TPSA42.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol with MolForge

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Related Compounds

(4-butoxyphenyl)-[4-[4-[4-[(4-butoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene
CID 139387004
ethyl 4-[4-(4-octoxyphenyl)piperazin-1-yl]butanoate
CID 118389815
4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]benzenecarbothioamide
CID 61441389
[4-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butoxy]phenyl]-tributylstannane
CID 22252300
4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid
CID 11058060
4-[4-(4-pentylcyclohexyl)piperazin-1-yl]benzoic acid
CID 22713170
butyl 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]acetate
CID 19602691
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol
CID 56675822
(4-chlorophenyl)-[4-[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pentoxy]phenyl]methanone
CID 24994624
2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol
CID 82346708
4-[3-(4-cyclopentyl-1,4-diazepan-1-yl)propoxy]benzamide
CID 134700418

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol (CID 143081422) is 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol is CCCCOc1ccc(N2CCN(C3CCC(N4CCN(CCCO)CC4)CC3)C2)cc1.
What is the InChIKey of 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol?
The InChIKey is HFKJKXFTPLTGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N4O2/c1-2-3-21-32-26-11-9-25(10-12-26)30-19-18-29(22-30)24-7-5-23(6-8-24)28-16-14-27(15-17-28)13-4-20-31/h9-12,23-24,31H,2-8,13-22H2,1H3.
What are the key properties of 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol?
3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol has a molecular weight of 444.66 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3-(4-butoxyphenyl)imidazolidin-1-yl]cyclohexyl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 143081422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).