(3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol

C14H21ClN2O2 — CID 155492860

IUPAC(3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2ccc(Cl)cn2)CC[C@@H]1O
InChIInChI=1S/C14H21ClN2O2/c1-2-6-14(10-18)9-17(7-5-12(14)19)13-4-3-11(15)8-16-13/h3-4,8,12,18-19H,2,5-7,9-10H2,1H3/t12-,14-/m0/s1
InChIKeyJNNBKOPOZMGPGQ-JSGCOSHPSA-N
MW284.79 g/mol
LogP2.08
Rot. Bonds4

About (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol

(3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol (PubChem CID 155492860) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
PubChem CID155492860
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name(3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
SMILESCCC[C@@]1(CO)CN(c2ccc(Cl)cn2)CC[C@@H]1O
InChIInChI=1S/C14H21ClN2O2/c1-2-6-14(10-18)9-17(7-5-12(14)19)13-4-3-11(15)8-16-13/h3-4,8,12,18-19H,2,5-7,9-10H2,1H3/t12-,14-/m0/s1
InChIKeyJNNBKOPOZMGPGQ-JSGCOSHPSA-N
XLogP2.08
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-pyridinyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155507299
(3S,4R)-3-(hydroxymethyl)-1-(4-methylquinolin-2-yl)-3-propylpiperidin-4-ol
CID 155496224
(3S,4S)-1-(5,6-dimethylpyrimidin-4-yl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155495165
(3S,4S)-3-(hydroxymethyl)-1-(4-methylphthalazin-1-yl)-3-propylpiperidin-4-ol
CID 155507875
(5-chloro-3-pyridinyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155495563
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
(3S,4S)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155916420
(3S,4R)-3-(hydroxymethyl)-3-(3-methoxypropyl)-1-(5-propylpyrimidin-2-yl)piperidin-4-ol
CID 155503908
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
5-chloro-2-(4-methoxypiperidin-1-yl)pyridine
CID 66233187
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol (CID 155492860) is (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol is CCC[C@@]1(CO)CN(c2ccc(Cl)cn2)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
The InChIKey is JNNBKOPOZMGPGQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-2-6-14(10-18)9-17(7-5-12(14)19)13-4-3-11(15)8-16-13/h3-4,8,12,18-19H,2,5-7,9-10H2,1H3/t12-,14-/m0/s1.
What are the key properties of (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol?
(3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol has a molecular weight of 284.79 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-chloro-2-pyridinyl)-3-(hydroxymethyl)-3-propylpiperidin-4-ol is sourced from PubChem (CID 155492860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).