1-(3-methylpentyl)piperazine

C10H22N2 — CID 45099566

IUPAC1-(3-methylpentyl)piperazine
SMILESCCC(C)CCN1CCNCC1
InChIInChI=1S/C10H22N2/c1-3-10(2)4-7-12-8-5-11-6-9-12/h10-11H,3-9H2,1-2H3
InChIKeyQYPRPORKFUOWIR-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds4

About 1-(3-methylpentyl)piperazine

1-(3-methylpentyl)piperazine (PubChem CID 45099566) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(3-methylpentyl)piperazine.

Molecular Properties

Compound Name1-(3-methylpentyl)piperazine
PubChem CID45099566
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-(3-methylpentyl)piperazine
SMILESCCC(C)CCN1CCNCC1
InChIInChI=1S/C10H22N2/c1-3-10(2)4-7-12-8-5-11-6-9-12/h10-11H,3-9H2,1-2H3
InChIKeyQYPRPORKFUOWIR-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-piperazin-1-ylpentan-3-yl)piperazine
CID 57104516
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
4-[(3S)-3-methylpentyl]morpholine
CID 167092878
N-methyl-1-piperazin-1-ylpentan-3-amine
CID 116954941
4-methyl-1-piperazin-1-ylpentan-3-amine
CID 116939882
ethanol;1-(3-methoxybutyl)-1,4,7-triazonane
CID 70236952
2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine
CID 82674179
1-(8-methylnonyl)piperazine
CID 170614920
hydron;1-propylpiperazine;dibromide
CID 91980567
N-ethyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 60849674
1-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,4-diazepane
CID 62832597
1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperazine
CID 84711201

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentyl)piperazine?
The IUPAC name of 1-(3-methylpentyl)piperazine (CID 45099566) is 1-(3-methylpentyl)piperazine.
What is the SMILES notation for 1-(3-methylpentyl)piperazine?
The canonical SMILES for 1-(3-methylpentyl)piperazine is CCC(C)CCN1CCNCC1.
What is the InChIKey of 1-(3-methylpentyl)piperazine?
The InChIKey is QYPRPORKFUOWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-10(2)4-7-12-8-5-11-6-9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(3-methylpentyl)piperazine?
1-(3-methylpentyl)piperazine has a molecular weight of 170.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentyl)piperazine is sourced from PubChem (CID 45099566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).