5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine

C14H21N3 — CID 134967795

IUPAC5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine
SMILESC=CC[C@@H](C)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C14H21N3/c1-3-7-12(2)13-10-15-14(16-11-13)17-8-5-4-6-9-17/h3,10-12H,1,4-9H2,2H3/t12-/m1/s1
InChIKeyLQWOZSTWVRQFDR-GFCCVEGCSA-N
MW231.34 g/mol
LogP3.15
Rot. Bonds4

About 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine

5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine (PubChem CID 134967795) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine
PubChem CID134967795
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine
SMILESC=CC[C@@H](C)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C14H21N3/c1-3-7-12(2)13-10-15-14(16-11-13)17-8-5-4-6-9-17/h3,10-12H,1,4-9H2,2H3/t12-/m1/s1
InChIKeyLQWOZSTWVRQFDR-GFCCVEGCSA-N
XLogP3.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine?
The IUPAC name of 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine (CID 134967795) is 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine is C=CC[C@@H](C)c1cnc(N2CCCCC2)nc1.
What is the InChIKey of 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine?
The InChIKey is LQWOZSTWVRQFDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-7-12(2)13-10-15-14(16-11-13)17-8-5-4-6-9-17/h3,10-12H,1,4-9H2,2H3/t12-/m1/s1.
What are the key properties of 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine?
5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine has a molecular weight of 231.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-pent-4-en-2-yl]-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 134967795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).