6-(4-methylpiperazin-1-yl)hexanal

C11H22N2O — CID 19781527

IUPAC6-(4-methylpiperazin-1-yl)hexanal
SMILESCN1CCN(CCCCCC=O)CC1
InChIInChI=1S/C11H22N2O/c1-12-7-9-13(10-8-12)6-4-2-3-5-11-14/h11H,2-10H2,1H3
InChIKeyRBHHJIZIGBXYAX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.99
Rot. Bonds6

About 6-(4-methylpiperazin-1-yl)hexanal

6-(4-methylpiperazin-1-yl)hexanal (PubChem CID 19781527) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)hexanal.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)hexanal
PubChem CID19781527
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name6-(4-methylpiperazin-1-yl)hexanal
SMILESCN1CCN(CCCCCC=O)CC1
InChIInChI=1S/C11H22N2O/c1-12-7-9-13(10-8-12)6-4-2-3-5-11-14/h11H,2-10H2,1H3
InChIKeyRBHHJIZIGBXYAX-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)hexyl]formamide
CID 167037670
5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal
CID 142873436
3-[4-(3-oxopropyl)piperazin-1-yl]propanal
CID 137349424
7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055
1-(9-bromononyl)-4-methylpiperazine
CID 105343553
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
6-[4-(3-methylbutyl)piperidin-1-yl]hexanal
CID 164535749
acetylene;1-methyl-4-octylpiperazine
CID 144712197
ethane;1-methyl-4-pentylpiperazine
CID 145099418
7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
CID 87608449
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)hexanal?
The IUPAC name of 6-(4-methylpiperazin-1-yl)hexanal (CID 19781527) is 6-(4-methylpiperazin-1-yl)hexanal.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)hexanal?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)hexanal is CN1CCN(CCCCCC=O)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)hexanal?
The InChIKey is RBHHJIZIGBXYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-7-9-13(10-8-12)6-4-2-3-5-11-14/h11H,2-10H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)hexanal?
6-(4-methylpiperazin-1-yl)hexanal has a molecular weight of 198.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)hexanal is sourced from PubChem (CID 19781527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).