(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine

C16H24N2 — CID 124710332

IUPAC(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
SMILESc1ccc(CN2CCCC[C@@H]2[C@H]2CCCN2)cc1
InChIInChI=1S/C16H24N2/c1-2-7-14(8-3-1)13-18-12-5-4-10-16(18)15-9-6-11-17-15/h1-3,7-8,15-17H,4-6,9-13H2/t15-,16-/m1/s1
InChIKeyUXGJJTRXGGGAKE-HZPDHXFCSA-N
MW244.38 g/mol
LogP2.79
Rot. Bonds3

About (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine

(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine (PubChem CID 124710332) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
PubChem CID124710332
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
SMILESc1ccc(CN2CCCC[C@@H]2[C@H]2CCCN2)cc1
InChIInChI=1S/C16H24N2/c1-2-7-14(8-3-1)13-18-12-5-4-10-16(18)15-9-6-11-17-15/h1-3,7-8,15-17H,4-6,9-13H2/t15-,16-/m1/s1
InChIKeyUXGJJTRXGGGAKE-HZPDHXFCSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
(3aR,8aR)-4-benzyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine;ethane;molecular hydrogen
CID 178143543
1-[(4-iodophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 65477853
4-benzyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline;pyrrolidine
CID 144745554
1-[(3-cyclopropylphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 79972574
(3aR,8aR)-4-[(3-chlorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143434
1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62273352
1-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256920
1-[(4-chloro-3-fluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256226
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
(3aR,8aR)-4-[(3-fluorophenyl)methyl]-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 178143551
1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine
CID 116790042

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine?
The IUPAC name of (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine (CID 124710332) is (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine.
What is the SMILES notation for (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine?
The canonical SMILES for (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine is c1ccc(CN2CCCC[C@@H]2[C@H]2CCCN2)cc1.
What is the InChIKey of (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine?
The InChIKey is UXGJJTRXGGGAKE-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-7-14(8-3-1)13-18-12-5-4-10-16(18)15-9-6-11-17-15/h1-3,7-8,15-17H,4-6,9-13H2/t15-,16-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine?
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine has a molecular weight of 244.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 124710332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).