propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate

C14H23NO2 — CID 67133661

IUPACpropan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate
SMILESCC#CCCC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-4-5-6-7-13-8-10-15(11-9-13)14(16)17-12(2)3/h12-13H,6-11H2,1-3H3
InChIKeyXRZKNYWPOMUUKD-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.05
Rot. Bonds3

About propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate

propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate (PubChem CID 67133661) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate
PubChem CID67133661
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namepropan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate
SMILESCC#CCCC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H23NO2/c1-4-5-6-7-13-8-10-15(11-9-13)14(16)17-12(2)3/h12-13H,6-11H2,1-3H3
InChIKeyXRZKNYWPOMUUKD-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate (CID 67133661) is propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate is CC#CCCC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate?
The InChIKey is XRZKNYWPOMUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-6-7-13-8-10-15(11-9-13)14(16)17-12(2)3/h12-13H,6-11H2,1-3H3.
What are the key properties of propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate?
propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-pent-3-ynylpiperidine-1-carboxylate is sourced from PubChem (CID 67133661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).