4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine

C19H29N3 — CID 170209728

IUPAC4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine
SMILESC1=C(CCCCc2cc(N3CCCCC3)ncn2)CCCC1
InChIInChI=1S/C19H29N3/c1-3-9-17(10-4-1)11-5-6-12-18-15-19(21-16-20-18)22-13-7-2-8-14-22/h9,15-16H,1-8,10-14H2
InChIKeyRNYWVZNGAUNTCT-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.68
Rot. Bonds6

About 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine

4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine (PubChem CID 170209728) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine
PubChem CID170209728
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine
SMILESC1=C(CCCCc2cc(N3CCCCC3)ncn2)CCCC1
InChIInChI=1S/C19H29N3/c1-3-9-17(10-4-1)11-5-6-12-18-15-19(21-16-20-18)22-13-7-2-8-14-22/h9,15-16H,1-8,10-14H2
InChIKeyRNYWVZNGAUNTCT-UHFFFAOYSA-N
XLogP4.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine (CID 170209728) is 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine is C1=C(CCCCc2cc(N3CCCCC3)ncn2)CCCC1.
What is the InChIKey of 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine?
The InChIKey is RNYWVZNGAUNTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-3-9-17(10-4-1)11-5-6-12-18-15-19(21-16-20-18)22-13-7-2-8-14-22/h9,15-16H,1-8,10-14H2.
What are the key properties of 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine?
4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine has a molecular weight of 299.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 170209728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).