1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine

C17H36N2O — CID 118887650

IUPAC1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine
SMILESCO[C@H](CCCN1CCN(C)CC1)CCCC(C)(C)C
InChIInChI=1S/C17H36N2O/c1-17(2,3)10-6-8-16(20-5)9-7-11-19-14-12-18(4)13-15-19/h16H,6-15H2,1-5H3/t16-/m0/s1
InChIKeyNHJBRHBVZFLFTC-INIZCTEOSA-N
MW284.49 g/mol
LogP3.25
Rot. Bonds8

About 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine

1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine (PubChem CID 118887650) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine
PubChem CID118887650
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine
SMILESCO[C@H](CCCN1CCN(C)CC1)CCCC(C)(C)C
InChIInChI=1S/C17H36N2O/c1-17(2,3)10-6-8-16(20-5)9-7-11-19-14-12-18(4)13-15-19/h16H,6-15H2,1-5H3/t16-/m0/s1
InChIKeyNHJBRHBVZFLFTC-INIZCTEOSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine?
The IUPAC name of 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine (CID 118887650) is 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine is CO[C@H](CCCN1CCN(C)CC1)CCCC(C)(C)C.
What is the InChIKey of 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine?
The InChIKey is NHJBRHBVZFLFTC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H36N2O/c1-17(2,3)10-6-8-16(20-5)9-7-11-19-14-12-18(4)13-15-19/h16H,6-15H2,1-5H3/t16-/m0/s1.
What are the key properties of 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine?
1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine has a molecular weight of 284.49 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methoxy-8,8-dimethylnonyl]-4-methylpiperazine is sourced from PubChem (CID 118887650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).