1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine

C19H39N3 — CID 176594565

IUPAC1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine
SMILESCN1C[C@@H](N2CCN(CC(C)(C)C)CC2)C[C@H]1CC(C)(C)C
InChIInChI=1S/C19H39N3/c1-18(2,3)13-16-12-17(14-20(16)7)22-10-8-21(9-11-22)15-19(4,5)6/h16-17H,8-15H2,1-7H3/t16-,17-/m0/s1
InChIKeyJVCLVGXMGYMHIT-IRXDYDNUSA-N
MW309.54 g/mol
LogP3.16
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine

1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine (PubChem CID 176594565) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine
PubChem CID176594565
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC Name1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine
SMILESCN1C[C@@H](N2CCN(CC(C)(C)C)CC2)C[C@H]1CC(C)(C)C
InChIInChI=1S/C19H39N3/c1-18(2,3)13-16-12-17(14-20(16)7)22-10-8-21(9-11-22)15-19(4,5)6/h16-17H,8-15H2,1-7H3/t16-,17-/m0/s1
InChIKeyJVCLVGXMGYMHIT-IRXDYDNUSA-N
XLogP3.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]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

1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
N-(4,4-dimethyl-3-oxopentyl)-1-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperidine-4-carboxamide
CID 176594591
(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 155459355
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine
CID 146658892
1-(2,2-dimethylpropyl)-4-[3-[4-(2,2-dimethylpropyl)cyclohexyl]propyl]piperidine
CID 158145393
O-[[(4R)-1-methyl-4-piperidin-1-ylpyrrolidin-2-yl]methyl]hydroxylamine
CID 137415171
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-2-ol
CID 82929861
4-(4-tert-butylcyclohexyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine
CID 177072799
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
CID 168851954

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine (CID 176594565) is 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine is CN1C[C@@H](N2CCN(CC(C)(C)C)CC2)C[C@H]1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine?
The InChIKey is JVCLVGXMGYMHIT-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H39N3/c1-18(2,3)13-16-12-17(14-20(16)7)22-10-8-21(9-11-22)15-19(4,5)6/h16-17H,8-15H2,1-7H3/t16-,17-/m0/s1.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine?
1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine has a molecular weight of 309.54 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine is sourced from PubChem (CID 176594565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).