5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine

C21H42N2O — CID 155003858

IUPAC5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine
SMILESCCCCCCCN1CC(C(C)(C)C)NCC1OCC1CCCC1
InChIInChI=1S/C21H42N2O/c1-5-6-7-8-11-14-23-16-19(21(2,3)4)22-15-20(23)24-17-18-12-9-10-13-18/h18-20,22H,5-17H2,1-4H3
InChIKeyYZWIVGQRZXUFQN-UHFFFAOYSA-N
MW338.58 g/mol
LogP4.81
Rot. Bonds9

About 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine

5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine (PubChem CID 155003858) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine
PubChem CID155003858
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine
SMILESCCCCCCCN1CC(C(C)(C)C)NCC1OCC1CCCC1
InChIInChI=1S/C21H42N2O/c1-5-6-7-8-11-14-23-16-19(21(2,3)4)22-15-20(23)24-17-18-12-9-10-13-18/h18-20,22H,5-17H2,1-4H3
InChIKeyYZWIVGQRZXUFQN-UHFFFAOYSA-N
XLogP4.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(2S,3S,4S,5S)-4-butan-2-yl-3,4,5-trimethyloxolan-2-yl]methyl]piperazine
CID 117980026
(3S,6R)-2,5-diethoxy-3-(1-methylcyclobutyl)-6-propan-2-ylpiperazine
CID 149963870
2-Tert-butyl-5-(cyclohexylmethoxy)piperazine
CID 154601243
2-Tert-butyl-5-(cyclopentylmethoxy)piperazine
CID 154601248
N-[2-[(2S)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine
CID 158506783
N-[2-[(2R)-2-(4,4-dimethylpentyl)morpholin-4-yl]ethyl]-2-methylpropan-1-amine
CID 158506784
3-[2-Methyl-2-(oxan-4-yl)propyl]-1-propan-2-ylpiperazine
CID 169634133
1-[2-(5,5-dimethylhexoxy)ethyl]-N-[3-(2,2-dimethylpropoxy)propyl]piperidin-3-amine
CID 172509022
N-(6,6-dimethylheptyl)-1-[2-(5,5-dimethylhexoxy)ethyl]piperidin-3-amine
CID 174340568
4-(7-Azaspiro[3.5]nonan-2-yl)-1-oxa-4-azacycloundecane
CID 174380133
5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine
CID 43098159
N-(4-methyl-2-morpholin-4-ylpentyl)heptan-2-amine
CID 43103009

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine?
The IUPAC name of 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine (CID 155003858) is 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine?
The canonical SMILES for 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine is CCCCCCCN1CC(C(C)(C)C)NCC1OCC1CCCC1.
What is the InChIKey of 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine?
The InChIKey is YZWIVGQRZXUFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-5-6-7-8-11-14-23-16-19(21(2,3)4)22-15-20(23)24-17-18-12-9-10-13-18/h18-20,22H,5-17H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine?
5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine has a molecular weight of 338.58 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(cyclopentylmethoxy)-1-heptylpiperazine is sourced from PubChem (CID 155003858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).