1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine

C15H32N2O — CID 70966971

IUPAC1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine
SMILESCCCC(C)COC(C)C[C@H](C)N1CCNCC1
InChIInChI=1S/C15H32N2O/c1-5-6-13(2)12-18-15(4)11-14(3)17-9-7-16-8-10-17/h13-16H,5-12H2,1-4H3/t13?,14-,15?/m0/s1
InChIKeyNJRYDHYWOYLOPX-SLTAFYQDSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine

1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine (PubChem CID 70966971) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine.

Molecular Properties

Compound Name1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine
PubChem CID70966971
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine
SMILESCCCC(C)COC(C)C[C@H](C)N1CCNCC1
InChIInChI=1S/C15H32N2O/c1-5-6-13(2)12-18-15(4)11-14(3)17-9-7-16-8-10-17/h13-16H,5-12H2,1-4H3/t13?,14-,15?/m0/s1
InChIKeyNJRYDHYWOYLOPX-SLTAFYQDSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine?
The IUPAC name of 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine (CID 70966971) is 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine.
What is the SMILES notation for 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine?
The canonical SMILES for 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine is CCCC(C)COC(C)C[C@H](C)N1CCNCC1.
What is the InChIKey of 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine?
The InChIKey is NJRYDHYWOYLOPX-SLTAFYQDSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-6-13(2)12-18-15(4)11-14(3)17-9-7-16-8-10-17/h13-16H,5-12H2,1-4H3/t13?,14-,15?/m0/s1.
What are the key properties of 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine?
1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine is sourced from PubChem (CID 70966971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).