(2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane

C23H48N2 — CID 170569249

IUPAC(2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane
SMILESCC(C)C.CC(C)N1CC(C)N(CCCCC2CCCCC2)[C@@H](C)C1
InChIInChI=1S/C19H38N2.C4H10/c1-16(2)20-14-17(3)21(18(4)15-20)13-9-8-12-19-10-6-5-7-11-19;1-4(2)3/h16-19H,5-15H2,1-4H3;4H,1-3H3/t17-,18?;/m0./s1
InChIKeyJLJNYIXCQYITKR-OQICONIUSA-N
MW352.65 g/mol
LogP6.20
Rot. Bonds6

About (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane

(2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane (PubChem CID 170569249) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane.

Molecular Properties

Compound Name(2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane
PubChem CID170569249
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Name(2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane
SMILESCC(C)C.CC(C)N1CC(C)N(CCCCC2CCCCC2)[C@@H](C)C1
InChIInChI=1S/C19H38N2.C4H10/c1-16(2)20-14-17(3)21(18(4)15-20)13-9-8-12-19-10-6-5-7-11-19;1-4(2)3/h16-19H,5-15H2,1-4H3;4H,1-3H3/t17-,18?;/m0./s1
InChIKeyJLJNYIXCQYITKR-OQICONIUSA-N
XLogP6.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane 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

(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine
CID 170569544
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
4-cyclopentylbutylcyclohexane
CID 144547696
2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170616894
(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
CID 175636165
(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372476
13-methyltetradecylcyclopentane
CID 123698808
4-methylpentylcyclopentane
CID 523530
6-cyclohexyl-3-methylhexanoic acid
CID 165358619
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-(1-methoxyethoxy)butylcyclohexane
CID 21363364
6,12-dimethylhexadecylcyclopentane;ethane;methane
CID 145468436

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane?
The IUPAC name of (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane (CID 170569249) is (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane.
What is the SMILES notation for (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane?
The canonical SMILES for (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane is CC(C)C.CC(C)N1CC(C)N(CCCCC2CCCCC2)[C@@H](C)C1.
What is the InChIKey of (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane?
The InChIKey is JLJNYIXCQYITKR-OQICONIUSA-N. The full InChI is InChI=1S/C19H38N2.C4H10/c1-16(2)20-14-17(3)21(18(4)15-20)13-9-8-12-19-10-6-5-7-11-19;1-4(2)3/h16-19H,5-15H2,1-4H3;4H,1-3H3/t17-,18?;/m0./s1.
What are the key properties of (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane?
(2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane has a molecular weight of 352.65 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane is sourced from PubChem (CID 170569249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).