(5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone

C15H19ClN2O2 — CID 97152590

IUPAC(5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
SMILESC=CC[C@]1(CO)CCCN(C(=O)c2cncc(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O2/c1-2-4-15(11-19)5-3-6-18(10-15)14(20)12-7-13(16)9-17-8-12/h2,7-9,19H,1,3-6,10-11H2/t15-/m0/s1
InChIKeyQCUCKHKBNCSSFG-HNNXBMFYSA-N
MW294.78 g/mol
LogP2.53
Rot. Bonds4

About (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone

(5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone (PubChem CID 97152590) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
PubChem CID97152590
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
SMILESC=CC[C@]1(CO)CCCN(C(=O)c2cncc(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O2/c1-2-4-15(11-19)5-3-6-18(10-15)14(20)12-7-13(16)9-17-8-12/h2,7-9,19H,1,3-6,10-11H2/t15-/m0/s1
InChIKeyQCUCKHKBNCSSFG-HNNXBMFYSA-N
XLogP2.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone?
The IUPAC name of (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone (CID 97152590) is (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone is C=CC[C@]1(CO)CCCN(C(=O)c2cncc(Cl)c2)C1.
What is the InChIKey of (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone?
The InChIKey is QCUCKHKBNCSSFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-4-15(11-19)5-3-6-18(10-15)14(20)12-7-13(16)9-17-8-12/h2,7-9,19H,1,3-6,10-11H2/t15-/m0/s1.
What are the key properties of (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone?
(5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone has a molecular weight of 294.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone is sourced from PubChem (CID 97152590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).