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

C21H42N2O — CID 170372476

IUPAC(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
SMILESCC(C)OC1CCC(CCCCN2CCN(C(C)C)C[C@@H]2C)CC1
InChIInChI=1S/C21H42N2O/c1-17(2)23-15-14-22(19(5)16-23)13-7-6-8-20-9-11-21(12-10-20)24-18(3)4/h17-21H,6-16H2,1-5H3/t19-,20?,21?/m0/s1
InChIKeyYBESGHJUGLYLBZ-MWXLCCTBSA-N
MW338.58 g/mol
LogP4.55
Rot. Bonds8

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

(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine (PubChem CID 170372476) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
PubChem CID170372476
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
SMILESCC(C)OC1CCC(CCCCN2CCN(C(C)C)C[C@@H]2C)CC1
InChIInChI=1S/C21H42N2O/c1-17(2)23-15-14-22(19(5)16-23)13-7-6-8-20-9-11-21(12-10-20)24-18(3)4/h17-21H,6-16H2,1-5H3/t19-,20?,21?/m0/s1
InChIKeyYBESGHJUGLYLBZ-MWXLCCTBSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
CID 175636165
(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
CID 170372986
1-butyl-2-methyl-4-propan-2-ylpiperazine;1-methyl-4-(2-methylpropyl)cyclohexane
CID 170569172
(2S)-1-propan-2-yl-4-[4-(4-propan-2-yloxycyclohexyl)butyl]-2-(trifluoromethyl)piperazine
CID 170372801
1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
CID 170375311
1-[2-methyl-4-(4-propan-2-yloxycyclohexyl)butan-2-yl]-4-propan-2-ylpiperazine
CID 170372805
(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine
CID 170569544
(2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane
CID 170569249
N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine
CID 170184827
(2-methyl-4-propan-2-ylpiperazin-1-yl)methanethiol
CID 167106909
1-propan-2-yl-3-propan-2-yloxypyrrolidine
CID 66606030
1-[4-(4-methoxycyclohexyl)butyl]-4-methyl-2-(trifluoromethyl)piperazine
CID 175626820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
The IUPAC name of (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine (CID 170372476) is (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine.
What is the SMILES notation for (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
The canonical SMILES for (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine is CC(C)OC1CCC(CCCCN2CCN(C(C)C)C[C@@H]2C)CC1.
What is the InChIKey of (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
The InChIKey is YBESGHJUGLYLBZ-MWXLCCTBSA-N. The full InChI is InChI=1S/C21H42N2O/c1-17(2)23-15-14-22(19(5)16-23)13-7-6-8-20-9-11-21(12-10-20)24-18(3)4/h17-21H,6-16H2,1-5H3/t19-,20?,21?/m0/s1.
What are the key properties of (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine?
(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine has a molecular weight of 338.58 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine is sourced from PubChem (CID 170372476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).