2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride

C10H20ClNO3 — CID 71757055

IUPAC2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride
SMILESCC(C)N1CCC(O)(CC(=O)O)CC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-8(2)11-5-3-10(14,4-6-11)7-9(12)13;/h8,14H,3-7H2,1-2H3,(H,12,13);1H
InChIKeyBWMVUQMEKDZQFM-UHFFFAOYSA-N
MW237.73 g/mol
LogP1.12
Rot. Bonds3

About 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride

2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride (PubChem CID 71757055) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride
PubChem CID71757055
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Name2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride
SMILESCC(C)N1CCC(O)(CC(=O)O)CC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-8(2)11-5-3-10(14,4-6-11)7-9(12)13;/h8,14H,3-7H2,1-2H3,(H,12,13);1H
InChIKeyBWMVUQMEKDZQFM-UHFFFAOYSA-N
XLogP1.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride (CID 71757055) is 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride is CC(C)N1CCC(O)(CC(=O)O)CC1.Cl.
What is the InChIKey of 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride?
The InChIKey is BWMVUQMEKDZQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.ClH/c1-8(2)11-5-3-10(14,4-6-11)7-9(12)13;/h8,14H,3-7H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride?
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid;hydrochloride is sourced from PubChem (CID 71757055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).