1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol

C21H27FN4O — CID 171539926

IUPAC1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ccnc(N[C@@H]3CCCN(c4cccc(F)c4)C3)c2)C1
InChIInChI=1S/C21H27FN4O/c22-16-4-1-6-18(12-16)25-10-2-5-17(14-25)24-21-13-19(8-9-23-21)26-11-3-7-20(27)15-26/h1,4,6,8-9,12-13,17,20,27H,2-3,5,7,10-11,14-15H2,(H,23,24)/t17-,20?/m1/s1
InChIKeyNYPWZVWUWLPYHR-DIAVIDTQSA-N
MW370.47 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol

1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol (PubChem CID 171539926) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol
PubChem CID171539926
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ccnc(N[C@@H]3CCCN(c4cccc(F)c4)C3)c2)C1
InChIInChI=1S/C21H27FN4O/c22-16-4-1-6-18(12-16)25-10-2-5-17(14-25)24-21-13-19(8-9-23-21)26-11-3-7-20(27)15-26/h1,4,6,8-9,12-13,17,20,27H,2-3,5,7,10-11,14-15H2,(H,23,24)/t17-,20?/m1/s1
InChIKeyNYPWZVWUWLPYHR-DIAVIDTQSA-N
XLogP3.26
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(Butylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793607
4-[[2-(Butylamino)-5-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793606
N-(4-(4-(2-fluorophenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865639
[1-(2-Anilino-6-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 91800579
1-[2-(4-Methylanilino)-6-pyridin-2-ylpyrimidin-4-yl]piperidin-3-ol
CID 91800580
[4-(4-Fluoroanilino)pyrimidin-5-yl]-piperidin-4-ylmethanol
CID 137652329
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(4-fluorophenyl)pyridin-2-amine
CID 145971759
US9802918, Example 30
CID 124089632
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
CID 162368315
4-[(2-Piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 72793108
1-[4-[[2-(Trifluoromethyl)pyridin-4-yl]amino]-6-[[6-(trifluoromethyl)pyridin-2-yl]amino]-1,3,5-triazin-2-yl]piperidin-3-ol
CID 160875902
4-[[2-(Butylamino)-5-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 117849637

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol (CID 171539926) is 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol is OC1CCCN(c2ccnc(N[C@@H]3CCCN(c4cccc(F)c4)C3)c2)C1.
What is the InChIKey of 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol?
The InChIKey is NYPWZVWUWLPYHR-DIAVIDTQSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-16-4-1-6-18(12-16)25-10-2-5-17(14-25)24-21-13-19(8-9-23-21)26-11-3-7-20(27)15-26/h1,4,6,8-9,12-13,17,20,27H,2-3,5,7,10-11,14-15H2,(H,23,24)/t17-,20?/m1/s1.
What are the key properties of 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol?
1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol has a molecular weight of 370.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 171539926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).