2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine

C31H39N3O2 — CID 10941465

IUPAC2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESc1ccc(COC[C@@H]2CCCN2Cc2cccc(CN3CCC[C@H]3COCc3ccccc3)n2)cc1
InChIInChI=1S/C31H39N3O2/c1-3-10-26(11-4-1)22-35-24-30-16-8-18-33(30)20-28-14-7-15-29(32-28)21-34-19-9-17-31(34)25-36-23-27-12-5-2-6-13-27/h1-7,10-15,30-31H,8-9,16-25H2/t30-,31-/m0/s1
InChIKeyYNBVMLOUGFCLJZ-CONSDPRKSA-N
MW485.67 g/mol
LogP5.44
Rot. Bonds12

About 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine

2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 10941465) has the molecular formula C31H39N3O2 and a molecular weight of 485.67 g/mol. Its IUPAC name is 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID10941465
Molecular FormulaC31H39N3O2
Molecular Weight485.67 g/mol
Exact Mass485.30
IUPAC Name2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESc1ccc(COC[C@@H]2CCCN2Cc2cccc(CN3CCC[C@H]3COCc3ccccc3)n2)cc1
InChIInChI=1S/C31H39N3O2/c1-3-10-26(11-4-1)22-35-24-30-16-8-18-33(30)20-28-14-7-15-29(32-28)21-34-19-9-17-31(34)25-36-23-27-12-5-2-6-13-27/h1-7,10-15,30-31H,8-9,16-25H2/t30-,31-/m0/s1
InChIKeyYNBVMLOUGFCLJZ-CONSDPRKSA-N
XLogP5.44
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine
CID 11817116
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79037926
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321893
(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine
CID 141047061
4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide
CID 53253656
3-methyl-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10755729
[4-[(2R)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 99983791
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
3-[2-[(2R)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10834908

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine (CID 10941465) is 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine is c1ccc(COC[C@@H]2CCCN2Cc2cccc(CN3CCC[C@H]3COCc3ccccc3)n2)cc1.
What is the InChIKey of 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is YNBVMLOUGFCLJZ-CONSDPRKSA-N. The full InChI is InChI=1S/C31H39N3O2/c1-3-10-26(11-4-1)22-35-24-30-16-8-18-33(30)20-28-14-7-15-29(32-28)21-34-19-9-17-31(34)25-36-23-27-12-5-2-6-13-27/h1-7,10-15,30-31H,8-9,16-25H2/t30-,31-/m0/s1.
What are the key properties of 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine?
2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 485.67 g/mol, XLogP of 5.44, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 10941465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).