1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine

C22H36N4 — CID 69467154

IUPAC1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine
SMILESC[C@@H]1CCCN1CCN1CCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H36N4/c1-20-6-5-11-25(20)16-14-24-15-17-26(19-24)22-9-12-23(13-10-22)18-21-7-3-2-4-8-21/h2-4,7-8,20,22H,5-6,9-19H2,1H3/t20-/m1/s1
InChIKeyAWXPKJJPFWQFBD-HXUWFJFHSA-N
MW356.56 g/mol
LogP2.71
Rot. Bonds6

About 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine

1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine (PubChem CID 69467154) has the molecular formula C22H36N4 and a molecular weight of 356.56 g/mol. Its IUPAC name is 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine
PubChem CID69467154
Molecular FormulaC22H36N4
Molecular Weight356.56 g/mol
Exact Mass356.29
IUPAC Name1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine
SMILESC[C@@H]1CCCN1CCN1CCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H36N4/c1-20-6-5-11-25(20)16-14-24-15-17-26(19-24)22-9-12-23(13-10-22)18-21-7-3-2-4-8-21/h2-4,7-8,20,22H,5-6,9-19H2,1H3/t20-/m1/s1
InChIKeyAWXPKJJPFWQFBD-HXUWFJFHSA-N
XLogP2.71
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine
CID 69467539
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 21109896
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine?
The IUPAC name of 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine (CID 69467154) is 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine is C[C@@H]1CCCN1CCN1CCN(C2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine?
The InChIKey is AWXPKJJPFWQFBD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H36N4/c1-20-6-5-11-25(20)16-14-24-15-17-26(19-24)22-9-12-23(13-10-22)18-21-7-3-2-4-8-21/h2-4,7-8,20,22H,5-6,9-19H2,1H3/t20-/m1/s1.
What are the key properties of 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine?
1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine has a molecular weight of 356.56 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine is sourced from PubChem (CID 69467154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).