3-piperidin-1-ylpropyl formate

C9H17NO2 — CID 54144211

IUPAC3-piperidin-1-ylpropyl formate
SMILESO=COCCCN1CCCCC1
InChIInChI=1S/C9H17NO2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h9H,1-8H2
InChIKeyBBTDOEDOXFNJPN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.04
Rot. Bonds5

About 3-piperidin-1-ylpropyl formate

3-piperidin-1-ylpropyl formate (PubChem CID 54144211) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl formate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl formate
PubChem CID54144211
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-piperidin-1-ylpropyl formate
SMILESO=COCCCN1CCCCC1
InChIInChI=1S/C9H17NO2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h9H,1-8H2
InChIKeyBBTDOEDOXFNJPN-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-piperazin-1-ylbutyl formate;hydrochloride
CID 174611710
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
1-(3-methyliodanuidyloxypropyl)piperidine
CID 162683920
2-(4-formylpiperidin-1-yl)ethyl formate
CID 174570080
3-piperidin-1-ylpropyl hydrogen sulfate
CID 56993472
2-(4-formylpiperazin-1-yl)ethyl formate
CID 13468187
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
3-pyrrolidin-1-ylpropyl sulfite
CID 174785148
tert-butyl formate;4-piperidin-1-ylbutan-1-amine
CID 174955961
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
CID 174749833

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl formate?
The IUPAC name of 3-piperidin-1-ylpropyl formate (CID 54144211) is 3-piperidin-1-ylpropyl formate.
What is the SMILES notation for 3-piperidin-1-ylpropyl formate?
The canonical SMILES for 3-piperidin-1-ylpropyl formate is O=COCCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropyl formate?
The InChIKey is BBTDOEDOXFNJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h9H,1-8H2.
What are the key properties of 3-piperidin-1-ylpropyl formate?
3-piperidin-1-ylpropyl formate has a molecular weight of 171.24 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl formate is sourced from PubChem (CID 54144211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).