3-prop-2-ynoxypiperidine

C8H13NO — CID 45075367

IUPAC3-prop-2-ynoxypiperidine
SMILESC#CCOC1CCCNC1
InChIInChI=1S/C8H13NO/c1-2-6-10-8-4-3-5-9-7-8/h1,8-9H,3-7H2
InChIKeyQUAFVYCHPUOSDS-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.39
Rot. Bonds2

About 3-prop-2-ynoxypiperidine

3-prop-2-ynoxypiperidine (PubChem CID 45075367) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-prop-2-ynoxypiperidine.

Molecular Properties

Compound Name3-prop-2-ynoxypiperidine
PubChem CID45075367
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-prop-2-ynoxypiperidine
SMILESC#CCOC1CCCNC1
InChIInChI=1S/C8H13NO/c1-2-6-10-8-4-3-5-9-7-8/h1,8-9H,3-7H2
InChIKeyQUAFVYCHPUOSDS-UHFFFAOYSA-N
XLogP0.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 80695434
3-(cyclobutylmethoxy)piperidine
CID 53409348
2-piperidin-3-yloxyethanol
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(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
(3S)-3-(2-methylpentoxy)piperidine
CID 66247189
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
(3S)-3-(2-bromoprop-2-enoxy)piperidine
CID 66247193
(3S)-3-(2-methylprop-2-enoxy)piperidine
CID 66247581
2-methyl-4-piperidin-3-yloxybutan-2-ol
CID 79355379
3-[(2,2-difluorocyclopropyl)methoxy]piperidine
CID 126845139
3-(piperidin-3-yloxymethyl)pentan-3-ol
CID 106939326
methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynoxypiperidine?
The IUPAC name of 3-prop-2-ynoxypiperidine (CID 45075367) is 3-prop-2-ynoxypiperidine.
What is the SMILES notation for 3-prop-2-ynoxypiperidine?
The canonical SMILES for 3-prop-2-ynoxypiperidine is C#CCOC1CCCNC1.
What is the InChIKey of 3-prop-2-ynoxypiperidine?
The InChIKey is QUAFVYCHPUOSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-6-10-8-4-3-5-9-7-8/h1,8-9H,3-7H2.
What are the key properties of 3-prop-2-ynoxypiperidine?
3-prop-2-ynoxypiperidine has a molecular weight of 139.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxypiperidine is sourced from PubChem (CID 45075367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).