6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol

C15H34N2OS — CID 123725712

IUPAC6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol
SMILESCS(C)(C)CCC(CO)CCCCN1CCNCC1
InChIInChI=1S/C15H34N2OS/c1-19(2,3)13-7-15(14-18)6-4-5-10-17-11-8-16-9-12-17/h15-16,18H,4-14H2,1-3H3
InChIKeyLOIZBAJNBLMUBD-UHFFFAOYSA-N
MW290.52 g/mol
LogP1.75
Rot. Bonds9

About 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol

6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol (PubChem CID 123725712) has the molecular formula C15H34N2OS and a molecular weight of 290.52 g/mol. Its IUPAC name is 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol.

Molecular Properties

Compound Name6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol
PubChem CID123725712
Molecular FormulaC15H34N2OS
Molecular Weight290.52 g/mol
Exact Mass290.24
IUPAC Name6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol
SMILESCS(C)(C)CCC(CO)CCCCN1CCNCC1
InChIInChI=1S/C15H34N2OS/c1-19(2,3)13-7-15(14-18)6-4-5-10-17-11-8-16-9-12-17/h15-16,18H,4-14H2,1-3H3
InChIKeyLOIZBAJNBLMUBD-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol
CID 118890170
6-piperazin-1-ylhexane-1,2-diol
CID 146264990
1-(8-methylnonyl)piperazine
CID 170614920
1-[(5S)-5-ethyl-8,8-dimethylnonyl]piperazine
CID 118887738
dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
CID 145139146
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
methanamine;2-piperazin-1-ylethanol
CID 142253011
1-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
azane;2-piperazin-1-ylethanol
CID 23318747

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol?
The IUPAC name of 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol (CID 123725712) is 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol.
What is the SMILES notation for 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol?
The canonical SMILES for 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol is CS(C)(C)CCC(CO)CCCCN1CCNCC1.
What is the InChIKey of 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol?
The InChIKey is LOIZBAJNBLMUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2OS/c1-19(2,3)13-7-15(14-18)6-4-5-10-17-11-8-16-9-12-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol?
6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol has a molecular weight of 290.52 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol is sourced from PubChem (CID 123725712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).