3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine

C23H30FN3 — CID 42293192

IUPAC3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
SMILESCc1c(F)cccc1CN1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C23H30FN3/c1-18-21(5-2-6-23(18)24)16-27-13-9-22(17-27)20-7-11-26(12-8-20)15-19-4-3-10-25-14-19/h2-6,10,14,20,22H,7-9,11-13,15-17H2,1H3/t22-/m1/s1
InChIKeyOZWKXNZWPCQIOM-JOCHJYFZSA-N
MW367.51 g/mol
LogP4.26
Rot. Bonds5

About 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine

3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 42293192) has the molecular formula C23H30FN3 and a molecular weight of 367.51 g/mol. Its IUPAC name is 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
PubChem CID42293192
Molecular FormulaC23H30FN3
Molecular Weight367.51 g/mol
Exact Mass367.24
IUPAC Name3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
SMILESCc1c(F)cccc1CN1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C23H30FN3/c1-18-21(5-2-6-23(18)24)16-27-13-9-22(17-27)20-7-11-26(12-8-20)15-19-4-3-10-25-14-19/h2-6,10,14,20,22H,7-9,11-13,15-17H2,1H3/t22-/m1/s1
InChIKeyOZWKXNZWPCQIOM-JOCHJYFZSA-N
XLogP4.26
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine with MolForge

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Related Compounds

3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine
CID 45215511
3-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine
CID 42458383
1-[(2,3-difluorophenyl)methyl]-4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperidine
CID 45212930
1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 11368047
4-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 42394785
5-ethyl-2-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 25289570
2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 45199332
[3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 45180036
ethyl 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-1-carbonyl]amino]acetate
CID 26394539
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
2-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131662432

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine (CID 42293192) is 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine is Cc1c(F)cccc1CN1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1.
What is the InChIKey of 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is OZWKXNZWPCQIOM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30FN3/c1-18-21(5-2-6-23(18)24)16-27-13-9-22(17-27)20-7-11-26(12-8-20)15-19-4-3-10-25-14-19/h2-6,10,14,20,22H,7-9,11-13,15-17H2,1H3/t22-/m1/s1.
What are the key properties of 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine?
3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 367.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3S)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 42293192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).