N-[6-(4-methylpiperazin-1-yl)hexyl]formamide

C12H25N3O — CID 167037670

IUPACN-[6-(4-methylpiperazin-1-yl)hexyl]formamide
SMILESCN1CCN(CCCCCCNC=O)CC1
InChIInChI=1S/C12H25N3O/c1-14-8-10-15(11-9-14)7-5-3-2-4-6-13-12-16/h12H,2-11H2,1H3,(H,13,16)
InChIKeyBOLPMDUYJPNZMJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds8

About N-[6-(4-methylpiperazin-1-yl)hexyl]formamide

N-[6-(4-methylpiperazin-1-yl)hexyl]formamide (PubChem CID 167037670) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)hexyl]formamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)hexyl]formamide
PubChem CID167037670
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[6-(4-methylpiperazin-1-yl)hexyl]formamide
SMILESCN1CCN(CCCCCCNC=O)CC1
InChIInChI=1S/C12H25N3O/c1-14-8-10-15(11-9-14)7-5-3-2-4-6-13-12-16/h12H,2-11H2,1H3,(H,13,16)
InChIKeyBOLPMDUYJPNZMJ-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
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

6-(4-methylpiperazin-1-yl)hexanal
CID 19781527
N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide
CID 87601203
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
4-(4-methylpiperazin-1-yl)butylhydrazine
CID 118629290
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
N-butylformamide;1-methylpiperidine
CID 142133645
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
N-[6-[3-(6-formamidohexyl)-2,4-dioxo-1,3-diazetidin-1-yl]hexyl]formamide
CID 165361548
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
7-(4-methylpiperazin-1-yl)heptane-1-thiol
CID 144712055
1-(9-bromononyl)-4-methylpiperazine
CID 105343553

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)hexyl]formamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)hexyl]formamide (CID 167037670) is N-[6-(4-methylpiperazin-1-yl)hexyl]formamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)hexyl]formamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)hexyl]formamide is CN1CCN(CCCCCCNC=O)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)hexyl]formamide?
The InChIKey is BOLPMDUYJPNZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-8-10-15(11-9-14)7-5-3-2-4-6-13-12-16/h12H,2-11H2,1H3,(H,13,16).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)hexyl]formamide?
N-[6-(4-methylpiperazin-1-yl)hexyl]formamide has a molecular weight of 227.35 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)hexyl]formamide is sourced from PubChem (CID 167037670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).