(3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine

C25H34N2 — CID 53252322

IUPAC(3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine
SMILESC[C@H]1CN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)CCN1
InChIInChI=1S/C25H34N2/c1-18-17-27(14-13-26-18)21-8-6-7-19(15-21)20-9-10-22-23(16-20)25(4,5)12-11-24(22,2)3/h6-10,15-16,18,26H,11-14,17H2,1-5H3/t18-/m0/s1
InChIKeyXSRLCKRZUVJTLP-SFHVURJKSA-N
MW362.56 g/mol
LogP5.50
Rot. Bonds2

About (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine

(3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine (PubChem CID 53252322) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine
PubChem CID53252322
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name(3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine
SMILESC[C@H]1CN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)CCN1
InChIInChI=1S/C25H34N2/c1-18-17-27(14-13-26-18)21-8-6-7-19(15-21)20-9-10-22-23(16-20)25(4,5)12-11-24(22,2)3/h6-10,15-16,18,26H,11-14,17H2,1-5H3/t18-/m0/s1
InChIKeyXSRLCKRZUVJTLP-SFHVURJKSA-N
XLogP5.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine?
The IUPAC name of (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine (CID 53252322) is (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine.
What is the SMILES notation for (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine?
The canonical SMILES for (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine is C[C@H]1CN(c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)CCN1.
What is the InChIKey of (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine?
The InChIKey is XSRLCKRZUVJTLP-SFHVURJKSA-N. The full InChI is InChI=1S/C25H34N2/c1-18-17-27(14-13-26-18)21-8-6-7-19(15-21)20-9-10-22-23(16-20)25(4,5)12-11-24(22,2)3/h6-10,15-16,18,26H,11-14,17H2,1-5H3/t18-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine?
(3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine has a molecular weight of 362.56 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine is sourced from PubChem (CID 53252322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).