(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol

C21H27FN4O — CID 29022324

IUPAC(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H27FN4O/c22-18-5-1-2-6-19(18)25-10-12-26(13-11-25)20-7-9-24(16-21(20)27)15-17-4-3-8-23-14-17/h1-6,8,14,20-21,27H,7,9-13,15-16H2/t20-,21-/m1/s1
InChIKeyUSDSWNUVRJRUQM-NHCUHLMSSA-N
MW370.47 g/mol
LogP1.98
Rot. Bonds4

About (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol

(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol (PubChem CID 29022324) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol
PubChem CID29022324
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H27FN4O/c22-18-5-1-2-6-19(18)25-10-12-26(13-11-25)20-7-9-24(16-21(20)27)15-17-4-3-8-23-14-17/h1-6,8,14,20-21,27H,7,9-13,15-16H2/t20-,21-/m1/s1
InChIKeyUSDSWNUVRJRUQM-NHCUHLMSSA-N
XLogP1.98
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol (CID 29022324) is (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol is O[C@@H]1CN(Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol?
The InChIKey is USDSWNUVRJRUQM-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-18-5-1-2-6-19(18)25-10-12-26(13-11-25)20-7-9-24(16-21(20)27)15-17-4-3-8-23-14-17/h1-6,8,14,20-21,27H,7,9-13,15-16H2/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol?
(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol has a molecular weight of 370.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(pyridin-3-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 29022324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).