(3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol

C18H21N3O — CID 141335687

IUPAC(3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2ccc(-c3cc(C4CC4)ccn3)cn2)C1
InChIInChI=1S/C18H21N3O/c22-16-2-1-9-21(12-16)18-6-5-15(11-20-18)17-10-14(7-8-19-17)13-3-4-13/h5-8,10-11,13,16,22H,1-4,9,12H2/t16-/m0/s1
InChIKeyCRZQZQLBLBEKFI-INIZCTEOSA-N
MW295.39 g/mol
LogP2.98
Rot. Bonds3

About (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol

(3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol (PubChem CID 141335687) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol
PubChem CID141335687
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2ccc(-c3cc(C4CC4)ccn3)cn2)C1
InChIInChI=1S/C18H21N3O/c22-16-2-1-9-21(12-16)18-6-5-15(11-20-18)17-10-14(7-8-19-17)13-3-4-13/h5-8,10-11,13,16,22H,1-4,9,12H2/t16-/m0/s1
InChIKeyCRZQZQLBLBEKFI-INIZCTEOSA-N
XLogP2.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 56769856
3-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]benzoic acid
CID 77084816
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040
3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one
CID 129497593
3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one
CID 121205033
(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol
CID 172626752
4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine
CID 141335696
N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide
CID 136924688
2-(azetidin-1-yl)-5-cyclopropylpyridine
CID 160845056
1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
CID 56770757

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol (CID 141335687) is (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol is O[C@H]1CCCN(c2ccc(-c3cc(C4CC4)ccn3)cn2)C1.
What is the InChIKey of (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol?
The InChIKey is CRZQZQLBLBEKFI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O/c22-16-2-1-9-21(12-16)18-6-5-15(11-20-18)17-10-14(7-8-19-17)13-3-4-13/h5-8,10-11,13,16,22H,1-4,9,12H2/t16-/m0/s1.
What are the key properties of (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol?
(3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol has a molecular weight of 295.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 141335687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).