1-tert-butyl-4-(2-phenylethyl)piperazine

C16H26N2 — CID 21132134

IUPAC1-tert-butyl-4-(2-phenylethyl)piperazine
SMILESCC(C)(C)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-16(2,3)18-13-11-17(12-14-18)10-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyAZTRLUJKMYQUDY-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.65
Rot. Bonds3

About 1-tert-butyl-4-(2-phenylethyl)piperazine

1-tert-butyl-4-(2-phenylethyl)piperazine (PubChem CID 21132134) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-phenylethyl)piperazine
PubChem CID21132134
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-tert-butyl-4-(2-phenylethyl)piperazine
SMILESCC(C)(C)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-16(2,3)18-13-11-17(12-14-18)10-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyAZTRLUJKMYQUDY-UHFFFAOYSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-tert-butylpiperazine
CID 3591937
3-[2-(4-tert-butylpiperazin-1-yl)ethyl]aniline
CID 65349893
2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342490
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
1-benzyl-4-tert-butyl-1,4-diazepane;1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-(2-phenylethyl)piperazine;1-tert-butyl-4-phenylpiperazine;3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylpropan-1-amine;1-tert-butyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)-1,4-diazepane;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 161384366
2-methyl-2-[4-(3-phenylpropyl)piperazin-1-yl]propanethioamide
CID 63342485
1,4-bis(2-phenylethyl)piperidine
CID 86059939
(2R)-2-(4-ethylpiperazin-1-yl)-4-phenylbutane-2-thiol
CID 174659467
1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine
CID 121415023
N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
CID 126539567
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-methylidene-1-(2-phenylethyl)piperidine
CID 58902713

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(2-phenylethyl)piperazine (CID 21132134) is 1-tert-butyl-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(2-phenylethyl)piperazine is CC(C)(C)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-phenylethyl)piperazine?
The InChIKey is AZTRLUJKMYQUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)18-13-11-17(12-14-18)10-9-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2-phenylethyl)piperazine?
1-tert-butyl-4-(2-phenylethyl)piperazine has a molecular weight of 246.40 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 21132134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).