N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine

C21H36N4 — CID 120967494

IUPACN-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine
SMILESCN(Cc1ccccc1)CC(C)(C)CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C21H36N4/c1-21(2,17-23(3)15-19-7-5-4-6-8-19)18-24-12-9-20(16-24)25-13-10-22-11-14-25/h4-8,20,22H,9-18H2,1-3H3
InChIKeyWWUHFPGXZFWFTG-UHFFFAOYSA-N
MW344.55 g/mol
LogP2.12
Rot. Bonds7

About N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine

N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine (PubChem CID 120967494) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine
PubChem CID120967494
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC NameN-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine
SMILESCN(Cc1ccccc1)CC(C)(C)CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C21H36N4/c1-21(2,17-23(3)15-19-7-5-4-6-8-19)18-24-12-9-20(16-24)25-13-10-22-11-14-25/h4-8,20,22H,9-18H2,1-3H3
InChIKeyWWUHFPGXZFWFTG-UHFFFAOYSA-N
XLogP2.12
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzyl-N,2,2-trimethylpropan-1-amine
CID 120780263
1-[1-[(1-benzyl-3-tert-butylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968069
N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide
CID 120995809
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967671
1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
CID 66203365
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine (CID 120967494) is N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine is CN(Cc1ccccc1)CC(C)(C)CN1CCC(N2CCNCC2)C1.
What is the InChIKey of N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is WWUHFPGXZFWFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-21(2,17-23(3)15-19-7-5-4-6-8-19)18-24-12-9-20(16-24)25-13-10-22-11-14-25/h4-8,20,22H,9-18H2,1-3H3.
What are the key properties of N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine?
N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 344.55 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,2-trimethyl-3-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 120967494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).