N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine

C20H35N3O — CID 135179274

IUPACN-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCCOCCN1CCN(c2ccc(C(C)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H35N3O/c1-6-24-16-15-22-11-13-23(14-12-22)19-9-7-18(8-10-19)17(2)21-20(3,4)5/h7-10,17,21H,6,11-16H2,1-5H3
InChIKeyHFZXQDYAOSERPO-UHFFFAOYSA-N
MW333.52 g/mol
LogP3.29
Rot. Bonds7

About N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine

N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine (PubChem CID 135179274) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine
PubChem CID135179274
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCCOCCN1CCN(c2ccc(C(C)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H35N3O/c1-6-24-16-15-22-11-13-23(14-12-22)19-9-7-18(8-10-19)17(2)21-20(3,4)5/h7-10,17,21H,6,11-16H2,1-5H3
InChIKeyHFZXQDYAOSERPO-UHFFFAOYSA-N
XLogP3.29
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine
CID 155109476
4-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]aniline
CID 106453577
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine
CID 86894996
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
1-(3,3-dimethylbutyl)-4-[4-(4,4-dimethylpentan-2-yl)phenyl]piperazine
CID 139545886
2-[4-[4-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223405
3-[3-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanal
CID 87693965
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63532857
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
CID 158500114
2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline
CID 43384244
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
[4-[4-(3,3-dimethylbutan-2-yl)phenyl]piperazin-1-yl]methanamine
CID 168901165

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine (CID 135179274) is N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine is CCOCCN1CCN(c2ccc(C(C)NC(C)(C)C)cc2)CC1.
What is the InChIKey of N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is HFZXQDYAOSERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-6-24-16-15-22-11-13-23(14-12-22)19-9-7-18(8-10-19)17(2)21-20(3,4)5/h7-10,17,21H,6,11-16H2,1-5H3.
What are the key properties of N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine?
N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 333.52 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 135179274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).