10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol

C32H68N4O2 — CID 22218533

IUPAC10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
SMILESCN1CCN(CCCCCCCCCCCCO)CC1.CN1CCN(CCCCCCCCCCO)CC1
InChIInChI=1S/C17H36N2O.C15H32N2O/c1-18-13-15-19(16-14-18)12-10-8-6-4-2-3-5-7-9-11-17-20;1-16-11-13-17(14-12-16)10-8-6-4-2-3-5-7-9-15-18/h20H,2-17H2,1H3;18H,2-15H2,1H3
InChIKeyAJQHSGDWGJRLPU-UHFFFAOYSA-N
MW540.92 g/mol
LogP5.47
Rot. Bonds22

About 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol

10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol (PubChem CID 22218533) has the molecular formula C32H68N4O2 and a molecular weight of 540.92 g/mol. Its IUPAC name is 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol.

Molecular Properties

Compound Name10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
PubChem CID22218533
Molecular FormulaC32H68N4O2
Molecular Weight540.92 g/mol
Exact Mass540.53
IUPAC Name10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
SMILESCN1CCN(CCCCCCCCCCCCO)CC1.CN1CCN(CCCCCCCCCCO)CC1
InChIInChI=1S/C17H36N2O.C15H32N2O/c1-18-13-15-19(16-14-18)12-10-8-6-4-2-3-5-7-9-11-17-20;1-16-11-13-17(14-12-16)10-8-6-4-2-3-5-7-9-15-18/h20H,2-17H2,1H3;18H,2-15H2,1H3
InChIKeyAJQHSGDWGJRLPU-UHFFFAOYSA-N
XLogP5.47
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.92
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol with MolForge

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Related Compounds

6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620
methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 113252132
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055
1-(9-bromononyl)-4-methylpiperazine
CID 105343553
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768

Frequently Asked Questions

What is the IUPAC name of 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol?
The IUPAC name of 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol (CID 22218533) is 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol.
What is the SMILES notation for 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol?
The canonical SMILES for 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol is CN1CCN(CCCCCCCCCCCCO)CC1.CN1CCN(CCCCCCCCCCO)CC1.
What is the InChIKey of 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol?
The InChIKey is AJQHSGDWGJRLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O.C15H32N2O/c1-18-13-15-19(16-14-18)12-10-8-6-4-2-3-5-7-9-11-17-20;1-16-11-13-17(14-12-16)10-8-6-4-2-3-5-7-9-15-18/h20H,2-17H2,1H3;18H,2-15H2,1H3.
What are the key properties of 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol?
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol has a molecular weight of 540.92 g/mol, XLogP of 5.47, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol is sourced from PubChem (CID 22218533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).