1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine

C20H40N2O — CID 170372630

IUPAC1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
SMILESCCN1CCN(C[C@@H](C)CCC2CCC(OC(C)C)CC2)CC1
InChIInChI=1S/C20H40N2O/c1-5-21-12-14-22(15-13-21)16-18(4)6-7-19-8-10-20(11-9-19)23-17(2)3/h17-20H,5-16H2,1-4H3/t18-,19?,20?/m0/s1
InChIKeyXLKDKZAJYBJUPZ-HDYDNRTBSA-N
MW324.55 g/mol
LogP4.02
Rot. Bonds8

About 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine

1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine (PubChem CID 170372630) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
PubChem CID170372630
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
SMILESCCN1CCN(C[C@@H](C)CCC2CCC(OC(C)C)CC2)CC1
InChIInChI=1S/C20H40N2O/c1-5-21-12-14-22(15-13-21)16-18(4)6-7-19-8-10-20(11-9-19)23-17(2)3/h17-20H,5-16H2,1-4H3/t18-,19?,20?/m0/s1
InChIKeyXLKDKZAJYBJUPZ-HDYDNRTBSA-N
XLogP4.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
The IUPAC name of 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine (CID 170372630) is 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine is CCN1CCN(C[C@@H](C)CCC2CCC(OC(C)C)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
The InChIKey is XLKDKZAJYBJUPZ-HDYDNRTBSA-N. The full InChI is InChI=1S/C20H40N2O/c1-5-21-12-14-22(15-13-21)16-18(4)6-7-19-8-10-20(11-9-19)23-17(2)3/h17-20H,5-16H2,1-4H3/t18-,19?,20?/m0/s1.
What are the key properties of 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine has a molecular weight of 324.55 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine is sourced from PubChem (CID 170372630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).