2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine

C23H38FN3 — CID 174258455

IUPAC2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine
SMILESCCC(F)C1CCN(C(C)CC2CCCN2c2ccc(C(C)C)cn2)CC1
InChIInChI=1S/C23H38FN3/c1-5-22(24)19-10-13-26(14-11-19)18(4)15-21-7-6-12-27(21)23-9-8-20(16-25-23)17(2)3/h8-9,16-19,21-22H,5-7,10-15H2,1-4H3
InChIKeyUEJCMUQDTROMAF-UHFFFAOYSA-N
MW375.58 g/mol
LogP5.41
Rot. Bonds7

About 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine

2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine (PubChem CID 174258455) has the molecular formula C23H38FN3 and a molecular weight of 375.58 g/mol. Its IUPAC name is 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine
PubChem CID174258455
Molecular FormulaC23H38FN3
Molecular Weight375.58 g/mol
Exact Mass375.30
IUPAC Name2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine
SMILESCCC(F)C1CCN(C(C)CC2CCCN2c2ccc(C(C)C)cn2)CC1
InChIInChI=1S/C23H38FN3/c1-5-22(24)19-10-13-26(14-11-19)18(4)15-21-7-6-12-27(21)23-9-8-20(16-25-23)17(2)3/h8-9,16-19,21-22H,5-7,10-15H2,1-4H3
InChIKeyUEJCMUQDTROMAF-UHFFFAOYSA-N
XLogP5.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.58
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine
CID 112748048
5-[cyclopropyl(cyclopropylidene)methyl]-2-[2-(2-methylbutyl)pyrrolidin-1-yl]pyridine
CID 70906639
[1-(5-iodo-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 68796392
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
1-[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]ethanamine
CID 102726770
5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine
CID 176934902
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 133472875
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine?
The IUPAC name of 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine (CID 174258455) is 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine.
What is the SMILES notation for 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine?
The canonical SMILES for 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine is CCC(F)C1CCN(C(C)CC2CCCN2c2ccc(C(C)C)cn2)CC1.
What is the InChIKey of 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine?
The InChIKey is UEJCMUQDTROMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38FN3/c1-5-22(24)19-10-13-26(14-11-19)18(4)15-21-7-6-12-27(21)23-9-8-20(16-25-23)17(2)3/h8-9,16-19,21-22H,5-7,10-15H2,1-4H3.
What are the key properties of 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine?
2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine has a molecular weight of 375.58 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(1-fluoropropyl)piperidin-1-yl]propyl]pyrrolidin-1-yl]-5-propan-2-ylpyridine is sourced from PubChem (CID 174258455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).