(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine

C16H26N2 — CID 129371290

IUPAC(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
SMILESCC(C)[C@@H]1CN(Cc2ccccc2)C(C)(C)CN1
InChIInChI=1S/C16H26N2/c1-13(2)15-11-18(16(3,4)12-17-15)10-14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3/t15-/m0/s1
InChIKeyWCXJIWVXCBCRIC-HNNXBMFYSA-N
MW246.40 g/mol
LogP2.89
Rot. Bonds3

About (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine

(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine (PubChem CID 129371290) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
PubChem CID129371290
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
SMILESCC(C)[C@@H]1CN(Cc2ccccc2)C(C)(C)CN1
InChIInChI=1S/C16H26N2/c1-13(2)15-11-18(16(3,4)12-17-15)10-14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3/t15-/m0/s1
InChIKeyWCXJIWVXCBCRIC-HNNXBMFYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64839060
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839645
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063
1-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 102620634
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840421
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64839080
2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64838670
1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 65443258

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine?
The IUPAC name of (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine (CID 129371290) is (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine?
The canonical SMILES for (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine is CC(C)[C@@H]1CN(Cc2ccccc2)C(C)(C)CN1.
What is the InChIKey of (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine?
The InChIKey is WCXJIWVXCBCRIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-11-18(16(3,4)12-17-15)10-14-8-6-5-7-9-14/h5-9,13,15,17H,10-12H2,1-4H3/t15-/m0/s1.
What are the key properties of (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine?
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 129371290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).