1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane

C31H55N3O — CID 143370096

IUPAC1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane
SMILESCCCCN1CCN(c2ccc(N3CCC[C@H]3C)cc2C2CCC(CC)(CC)CC2)CC1.COC
InChIInChI=1S/C29H49N3.C2H6O/c1-5-8-17-30-19-21-31(22-20-30)28-12-11-26(32-18-9-10-24(32)4)23-27(28)25-13-15-29(6-2,7-3)16-14-25;1-3-2/h11-12,23-25H,5-10,13-22H2,1-4H3;1-2H3/t24-;/m1./s1
InChIKeyYVWZEFZLFRIDKQ-GJFSDDNBSA-N
MW485.80 g/mol
LogP7.32
Rot. Bonds8

About 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane

1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane (PubChem CID 143370096) has the molecular formula C31H55N3O and a molecular weight of 485.80 g/mol. Its IUPAC name is 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane.

Molecular Properties

Compound Name1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane
PubChem CID143370096
Molecular FormulaC31H55N3O
Molecular Weight485.80 g/mol
Exact Mass485.43
IUPAC Name1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane
SMILESCCCCN1CCN(c2ccc(N3CCC[C@H]3C)cc2C2CCC(CC)(CC)CC2)CC1.COC
InChIInChI=1S/C29H49N3.C2H6O/c1-5-8-17-30-19-21-31(22-20-30)28-12-11-26(32-18-9-10-24(32)4)23-27(28)25-13-15-29(6-2,7-3)16-14-25;1-3-2/h11-12,23-25H,5-10,13-22H2,1-4H3;1-2H3/t24-;/m1./s1
InChIKeyYVWZEFZLFRIDKQ-GJFSDDNBSA-N
XLogP7.32
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane 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

1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]phenyl]piperazine;hydrochloride
CID 68975190
(2S,6R)-4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]-2,6-dimethylmorpholine
CID 69220121
4-[4-(4-butylpiperazin-1-yl)-3-(4,4-diethylcyclohexyl)phenyl]morpholine
CID 23141587
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine
CID 23142252
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23142251
1-butyl-4-[4-(4-methoxypiperidin-1-yl)-2-spiro[2.5]octan-6-ylphenyl]piperazine
CID 23142123
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-(4-methoxypiperidin-1-yl)phenyl]piperazine;hydrochloride
CID 23141550
4-[4-(4-butylpiperazin-1-yl)-3-spiro[2.5]octan-6-ylphenyl]-2,6-dimethylmorpholine
CID 69220213
1-[4-(4-methoxypiperidin-1-yl)-2-spiro[2.5]octan-6-ylphenyl]-4-pentylpiperazine;hydrochloride
CID 23142086
1-butyl-4-[2-(4,4-dimethylcyclohexyl)-4-(4-propan-2-yloxypiperidin-1-yl)phenyl]piperazine;hydrochloride
CID 23141710
1-(cyclopropylmethyl)-4-[2-(4,4-diethylcyclohexyl)-4-[4-(methoxymethyl)piperidin-1-yl]phenyl]piperazine
CID 58767861
1-(2-methoxyethyl)-4-(4-piperidin-1-yl-2-spiro[2.5]octan-6-ylphenyl)piperazine
CID 23142219

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane?
The IUPAC name of 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane (CID 143370096) is 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane.
What is the SMILES notation for 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane?
The canonical SMILES for 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane is CCCCN1CCN(c2ccc(N3CCC[C@H]3C)cc2C2CCC(CC)(CC)CC2)CC1.COC.
What is the InChIKey of 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane?
The InChIKey is YVWZEFZLFRIDKQ-GJFSDDNBSA-N. The full InChI is InChI=1S/C29H49N3.C2H6O/c1-5-8-17-30-19-21-31(22-20-30)28-12-11-26(32-18-9-10-24(32)4)23-27(28)25-13-15-29(6-2,7-3)16-14-25;1-3-2/h11-12,23-25H,5-10,13-22H2,1-4H3;1-2H3/t24-;/m1./s1.
What are the key properties of 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane?
1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane has a molecular weight of 485.80 g/mol, XLogP of 7.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(4,4-diethylcyclohexyl)-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]piperazine;methoxymethane is sourced from PubChem (CID 143370096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).