(2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine

C20H28N2 — CID 23641155

IUPAC(2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine
SMILESCC(C)(C)CN1CCNC[C@H]1Cc1cccc2ccccc12
InChIInChI=1S/C20H28N2/c1-20(2,3)15-22-12-11-21-14-18(22)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-10,18,21H,11-15H2,1-3H3/t18-/m1/s1
InChIKeyFSVMCDLIEBONRV-GOSISDBHSA-N
MW296.46 g/mol
LogP3.70
Rot. Bonds3

About (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine

(2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine (PubChem CID 23641155) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name(2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine
PubChem CID23641155
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name(2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine
SMILESCC(C)(C)CN1CCNC[C@H]1Cc1cccc2ccccc12
InChIInChI=1S/C20H28N2/c1-20(2,3)15-22-12-11-21-14-18(22)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-10,18,21H,11-15H2,1-3H3/t18-/m1/s1
InChIKeyFSVMCDLIEBONRV-GOSISDBHSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine (CID 23641155) is (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine is CC(C)(C)CN1CCNC[C@H]1Cc1cccc2ccccc12.
What is the InChIKey of (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is FSVMCDLIEBONRV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2/c1-20(2,3)15-22-12-11-21-14-18(22)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-10,18,21H,11-15H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine?
(2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 296.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-dimethylpropyl)-2-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 23641155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).