1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine

C21H43N3 — CID 171748215

IUPAC1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1CCCN1CCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C21H43N3/c1-19(2)18-21-10-9-13-24(21)12-8-6-5-7-11-22-14-16-23(17-15-22)20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyMVQVUJYMDYIORH-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.08
Rot. Bonds10

About 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine

1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine (PubChem CID 171748215) has the molecular formula C21H43N3 and a molecular weight of 337.60 g/mol. Its IUPAC name is 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine
PubChem CID171748215
Molecular FormulaC21H43N3
Molecular Weight337.60 g/mol
Exact Mass337.35
IUPAC Name1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1CCCN1CCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C21H43N3/c1-19(2)18-21-10-9-13-24(21)12-8-6-5-7-11-22-14-16-23(17-15-22)20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyMVQVUJYMDYIORH-UHFFFAOYSA-N
XLogP4.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2S)-2-(2-butylhexyl)pyrrolidin-1-yl]butyl]-4-pentan-2-ylpiperazine
CID 174276348
1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163972118
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
2-(2-bromopropyl)-1-(3-pyrrolidin-1-ylpropyl)azepane
CID 112748032
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
(4S)-N,N-dimethyl-1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]azepan-4-amine
CID 124854500
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
3-[2-(2-methylpropyl)azepan-1-yl]propanoic acid
CID 119137915

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine (CID 171748215) is 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine is CC(C)CC1CCCN1CCCCCCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine?
The InChIKey is MVQVUJYMDYIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3/c1-19(2)18-21-10-9-13-24(21)12-8-6-5-7-11-22-14-16-23(17-15-22)20(3)4/h19-21H,5-18H2,1-4H3.
What are the key properties of 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine?
1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine has a molecular weight of 337.60 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(2-methylpropyl)pyrrolidin-1-yl]hexyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171748215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).