1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol

C10H21NO2 — CID 131165895

IUPAC1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CC[C@H](CO)C[C@@H]1C
InChIInChI=1S/C10H21NO2/c1-8-5-10(7-12)3-4-11(8)6-9(2)13/h8-10,12-13H,3-7H2,1-2H3/t8-,9?,10-/m0/s1
InChIKeyNDSUCEKFVLFDMX-SMILAEQMSA-N
MW187.28 g/mol
LogP0.46
Rot. Bonds3

About 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol

1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol (PubChem CID 131165895) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol
PubChem CID131165895
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CC[C@H](CO)C[C@@H]1C
InChIInChI=1S/C10H21NO2/c1-8-5-10(7-12)3-4-11(8)6-9(2)13/h8-10,12-13H,3-7H2,1-2H3/t8-,9?,10-/m0/s1
InChIKeyNDSUCEKFVLFDMX-SMILAEQMSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol (CID 131165895) is 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol is CC(O)CN1CC[C@H](CO)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol?
The InChIKey is NDSUCEKFVLFDMX-SMILAEQMSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8-5-10(7-12)3-4-11(8)6-9(2)13/h8-10,12-13H,3-7H2,1-2H3/t8-,9?,10-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol?
1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 131165895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).