(3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol

C17H23N3O2 — CID 155915717

IUPAC(3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol
SMILESCCC[C@]1(CO)CCN(c2nccc3ncccc23)C[C@H]1O
InChIInChI=1S/C17H23N3O2/c1-2-6-17(12-21)7-10-20(11-15(17)22)16-13-4-3-8-18-14(13)5-9-19-16/h3-5,8-9,15,21-22H,2,6-7,10-12H2,1H3/t15-,17-/m1/s1
InChIKeyBJOMPRJOUMAZJM-NVXWUHKLSA-N
MW301.39 g/mol
LogP1.98
Rot. Bonds4

About (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol

(3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol (PubChem CID 155915717) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol
PubChem CID155915717
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol
SMILESCCC[C@]1(CO)CCN(c2nccc3ncccc23)C[C@H]1O
InChIInChI=1S/C17H23N3O2/c1-2-6-17(12-21)7-10-20(11-15(17)22)16-13-4-3-8-18-14(13)5-9-19-16/h3-5,8-9,15,21-22H,2,6-7,10-12H2,1H3/t15-,17-/m1/s1
InChIKeyBJOMPRJOUMAZJM-NVXWUHKLSA-N
XLogP1.98
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol (CID 155915717) is (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol is CCC[C@]1(CO)CCN(c2nccc3ncccc23)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol?
The InChIKey is BJOMPRJOUMAZJM-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-6-17(12-21)7-10-20(11-15(17)22)16-13-4-3-8-18-14(13)5-9-19-16/h3-5,8-9,15,21-22H,2,6-7,10-12H2,1H3/t15-,17-/m1/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol?
(3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol has a molecular weight of 301.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-1-(1,6-naphthyridin-5-yl)-4-propylpiperidin-3-ol is sourced from PubChem (CID 155915717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).