N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine

C18H33N3 — CID 142156653

IUPACN-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine
SMILESC1CNCCN1.CC(C)N(CCc1ccccc1)C(C)C
InChIInChI=1S/C14H23N.C4H10N2/c1-12(2)15(13(3)4)11-10-14-8-6-5-7-9-14;1-2-6-4-3-5-1/h5-9,12-13H,10-11H2,1-4H3;5-6H,1-4H2
InChIKeyUNYGAZJLWVXBHG-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.53
Rot. Bonds5

About N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine

N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine (PubChem CID 142156653) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine
PubChem CID142156653
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine
SMILESC1CNCCN1.CC(C)N(CCc1ccccc1)C(C)C
InChIInChI=1S/C14H23N.C4H10N2/c1-12(2)15(13(3)4)11-10-14-8-6-5-7-9-14;1-2-6-4-3-5-1/h5-9,12-13H,10-11H2,1-4H3;5-6H,1-4H2
InChIKeyUNYGAZJLWVXBHG-UHFFFAOYSA-N
XLogP2.53
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-phenylethyl)piperidin-4-amine
CID 118109179
2-bromopropane;2-phenylethanamine;N-(2-phenylethyl)propan-2-amine;N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine
CID 162000880
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238912
N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine
CID 54911022
3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980972
4-[2,6-bis(1-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70243099
1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70241618
N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 174959613
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 173326782
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79707519

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine?
The IUPAC name of N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine (CID 142156653) is N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine.
What is the SMILES notation for N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine?
The canonical SMILES for N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine is C1CNCCN1.CC(C)N(CCc1ccccc1)C(C)C.
What is the InChIKey of N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine?
The InChIKey is UNYGAZJLWVXBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C4H10N2/c1-12(2)15(13(3)4)11-10-14-8-6-5-7-9-14;1-2-6-4-3-5-1/h5-9,12-13H,10-11H2,1-4H3;5-6H,1-4H2.
What are the key properties of N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine?
N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine has a molecular weight of 291.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-propan-2-ylpropan-2-amine;piperazine is sourced from PubChem (CID 142156653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).