(3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol

C15H24N2O3 — CID 164633923

IUPAC(3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol
SMILESCOc1nc(C)cc(C)c1CN1CCC[C@@](O)(CO)C1
InChIInChI=1S/C15H24N2O3/c1-11-7-12(2)16-14(20-3)13(11)8-17-6-4-5-15(19,9-17)10-18/h7,18-19H,4-6,8-10H2,1-3H3/t15-/m0/s1
InChIKeyTXYUHCYEGPUQCB-HNNXBMFYSA-N
MW280.37 g/mol
LogP1.03
Rot. Bonds4

About (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol

(3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol (PubChem CID 164633923) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol
PubChem CID164633923
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol
SMILESCOc1nc(C)cc(C)c1CN1CCC[C@@](O)(CO)C1
InChIInChI=1S/C15H24N2O3/c1-11-7-12(2)16-14(20-3)13(11)8-17-6-4-5-15(19,9-17)10-18/h7,18-19H,4-6,8-10H2,1-3H3/t15-/m0/s1
InChIKeyTXYUHCYEGPUQCB-HNNXBMFYSA-N
XLogP1.03
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol (CID 164633923) is (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol is COc1nc(C)cc(C)c1CN1CCC[C@@](O)(CO)C1.
What is the InChIKey of (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol?
The InChIKey is TXYUHCYEGPUQCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-7-12(2)16-14(20-3)13(11)8-17-6-4-5-15(19,9-17)10-18/h7,18-19H,4-6,8-10H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol?
(3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol has a molecular weight of 280.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidin-3-ol is sourced from PubChem (CID 164633923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).