acetic acid;(1R)-1-piperidin-4-ylethanol

C9H19NO3 — CID 66673151

IUPACacetic acid;(1R)-1-piperidin-4-ylethanol
SMILESCC(=O)O.C[C@@H](O)C1CCNCC1
InChIInChI=1S/C7H15NO.C2H4O2/c1-6(9)7-2-4-8-5-3-7;1-2(3)4/h6-9H,2-5H2,1H3;1H3,(H,3,4)/t6-;/m1./s1
InChIKeyLGXYBQOOYGIBEP-FYZOBXCZSA-N
MW189.25 g/mol
LogP0.46
Rot. Bonds1

About acetic acid;(1R)-1-piperidin-4-ylethanol

acetic acid;(1R)-1-piperidin-4-ylethanol (PubChem CID 66673151) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is acetic acid;(1R)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Nameacetic acid;(1R)-1-piperidin-4-ylethanol
PubChem CID66673151
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameacetic acid;(1R)-1-piperidin-4-ylethanol
SMILESCC(=O)O.C[C@@H](O)C1CCNCC1
InChIInChI=1S/C7H15NO.C2H4O2/c1-6(9)7-2-4-8-5-3-7;1-2(3)4/h6-9H,2-5H2,1H3;1H3,(H,3,4)/t6-;/m1./s1
InChIKeyLGXYBQOOYGIBEP-FYZOBXCZSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
N-(1-piperidin-4-ylethyl)acetamide
CID 43523156
3-piperidin-4-ylbutan-2-ol
CID 154192279
acetic acid;piperidin-4-amine
CID 172796704
1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one
CID 177156090
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
CID 103810262
N,N-dimethyl-2-piperidin-4-ylpropanamide
CID 138986425
2-methoxy-2-piperidin-4-ylacetamide
CID 126521917
tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate
CID 5232230
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanol;hydrochloride
CID 119931316
(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid
CID 69483125

Frequently Asked Questions

What is the IUPAC name of acetic acid;(1R)-1-piperidin-4-ylethanol?
The IUPAC name of acetic acid;(1R)-1-piperidin-4-ylethanol (CID 66673151) is acetic acid;(1R)-1-piperidin-4-ylethanol.
What is the SMILES notation for acetic acid;(1R)-1-piperidin-4-ylethanol?
The canonical SMILES for acetic acid;(1R)-1-piperidin-4-ylethanol is CC(=O)O.C[C@@H](O)C1CCNCC1.
What is the InChIKey of acetic acid;(1R)-1-piperidin-4-ylethanol?
The InChIKey is LGXYBQOOYGIBEP-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H15NO.C2H4O2/c1-6(9)7-2-4-8-5-3-7;1-2(3)4/h6-9H,2-5H2,1H3;1H3,(H,3,4)/t6-;/m1./s1.
What are the key properties of acetic acid;(1R)-1-piperidin-4-ylethanol?
acetic acid;(1R)-1-piperidin-4-ylethanol has a molecular weight of 189.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(1R)-1-piperidin-4-ylethanol is sourced from PubChem (CID 66673151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).