acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate

C12H23NO5 — CID 67539276

IUPACacetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate
SMILESCC(=O)O.COC(=O)C1CNCCC1CCCO
InChIInChI=1S/C10H19NO3.C2H4O2/c1-14-10(13)9-7-11-5-4-8(9)3-2-6-12;1-2(3)4/h8-9,11-12H,2-7H2,1H3;1H3,(H,3,4)
InChIKeyILWPLNCTCLWXTN-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.25
Rot. Bonds4

About acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate

acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate (PubChem CID 67539276) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameacetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate
PubChem CID67539276
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nameacetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate
SMILESCC(=O)O.COC(=O)C1CNCCC1CCCO
InChIInChI=1S/C10H19NO3.C2H4O2/c1-14-10(13)9-7-11-5-4-8(9)3-2-6-12;1-2(3)4/h8-9,11-12H,2-7H2,1H3;1H3,(H,3,4)
InChIKeyILWPLNCTCLWXTN-UHFFFAOYSA-N
XLogP0.25
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate?
The IUPAC name of acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate (CID 67539276) is acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate.
What is the SMILES notation for acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate?
The canonical SMILES for acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate is CC(=O)O.COC(=O)C1CNCCC1CCCO.
What is the InChIKey of acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate?
The InChIKey is ILWPLNCTCLWXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C2H4O2/c1-14-10(13)9-7-11-5-4-8(9)3-2-6-12;1-2(3)4/h8-9,11-12H,2-7H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate?
acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate is sourced from PubChem (CID 67539276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).