1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine

C21H42N2O — CID 170375311

IUPAC1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
SMILESCC(C)OC1CCC(C[C@@H](C)CCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H42N2O/c1-17(2)23-14-12-22(13-15-23)11-10-19(5)16-20-6-8-21(9-7-20)24-18(3)4/h17-21H,6-16H2,1-5H3/t19-,20?,21?/m0/s1
InChIKeyNRYNJUYBLCBZRY-MWXLCCTBSA-N
MW338.58 g/mol
LogP4.41
Rot. Bonds8

About 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine

1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine (PubChem CID 170375311) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
PubChem CID170375311
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
SMILESCC(C)OC1CCC(C[C@@H](C)CCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H42N2O/c1-17(2)23-14-12-22(13-15-23)11-10-19(5)16-20-6-8-21(9-7-20)24-18(3)4/h17-21H,6-16H2,1-5H3/t19-,20?,21?/m0/s1
InChIKeyNRYNJUYBLCBZRY-MWXLCCTBSA-N
XLogP4.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine (CID 170375311) is 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine is CC(C)OC1CCC(C[C@@H](C)CCN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine?
The InChIKey is NRYNJUYBLCBZRY-MWXLCCTBSA-N. The full InChI is InChI=1S/C21H42N2O/c1-17(2)23-14-12-22(13-15-23)11-10-19(5)16-20-6-8-21(9-7-20)24-18(3)4/h17-21H,6-16H2,1-5H3/t19-,20?,21?/m0/s1.
What are the key properties of 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine?
1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine has a molecular weight of 338.58 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170375311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).