1-(3-methylheptan-2-yl)-4-propylpiperazine

C15H32N2 — CID 123651816

IUPAC1-(3-methylheptan-2-yl)-4-propylpiperazine
SMILESCCCCC(C)C(C)N1CCN(CCC)CC1
InChIInChI=1S/C15H32N2/c1-5-7-8-14(3)15(4)17-12-10-16(9-6-2)11-13-17/h14-15H,5-13H2,1-4H3
InChIKeyURIXKCVABALBSA-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.23
Rot. Bonds7

About 1-(3-methylheptan-2-yl)-4-propylpiperazine

1-(3-methylheptan-2-yl)-4-propylpiperazine (PubChem CID 123651816) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(3-methylheptan-2-yl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(3-methylheptan-2-yl)-4-propylpiperazine
PubChem CID123651816
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(3-methylheptan-2-yl)-4-propylpiperazine
SMILESCCCCC(C)C(C)N1CCN(CCC)CC1
InChIInChI=1S/C15H32N2/c1-5-7-8-14(3)15(4)17-12-10-16(9-6-2)11-13-17/h14-15H,5-13H2,1-4H3
InChIKeyURIXKCVABALBSA-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine
CID 79414609
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
1-(3-methylheptan-2-yl)imidazolidine
CID 174705189
2-(4-hexylpiperazin-1-yl)propan-1-amine
CID 63340593
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
CID 143197605
1-(4-propylpiperazin-1-yl)pentan-2-ol
CID 62043435
N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 56828316
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
CID 79408430
N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane
CID 142586854
(4-hexylpiperazin-1-yl)methanedithiol
CID 58131417

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylheptan-2-yl)-4-propylpiperazine?
The IUPAC name of 1-(3-methylheptan-2-yl)-4-propylpiperazine (CID 123651816) is 1-(3-methylheptan-2-yl)-4-propylpiperazine.
What is the SMILES notation for 1-(3-methylheptan-2-yl)-4-propylpiperazine?
The canonical SMILES for 1-(3-methylheptan-2-yl)-4-propylpiperazine is CCCCC(C)C(C)N1CCN(CCC)CC1.
What is the InChIKey of 1-(3-methylheptan-2-yl)-4-propylpiperazine?
The InChIKey is URIXKCVABALBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-7-8-14(3)15(4)17-12-10-16(9-6-2)11-13-17/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-(3-methylheptan-2-yl)-4-propylpiperazine?
1-(3-methylheptan-2-yl)-4-propylpiperazine has a molecular weight of 240.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylheptan-2-yl)-4-propylpiperazine is sourced from PubChem (CID 123651816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).