1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine

C19H37FN2 — CID 155716813

IUPAC1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine
SMILESCC(C)(CC1CCNCC1)CC(C)(C)CC1CCN(F)CC1
InChIInChI=1S/C19H37FN2/c1-18(2,13-16-5-9-21-10-6-16)15-19(3,4)14-17-7-11-22(20)12-8-17/h16-17,21H,5-15H2,1-4H3
InChIKeyKHAQRMCNQRZQAI-UHFFFAOYSA-N
MW312.52 g/mol
LogP4.81
Rot. Bonds6

About 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine

1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine (PubChem CID 155716813) has the molecular formula C19H37FN2 and a molecular weight of 312.52 g/mol. Its IUPAC name is 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine.

Molecular Properties

Compound Name1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine
PubChem CID155716813
Molecular FormulaC19H37FN2
Molecular Weight312.52 g/mol
Exact Mass312.29
IUPAC Name1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine
SMILESCC(C)(CC1CCNCC1)CC(C)(C)CC1CCN(F)CC1
InChIInChI=1S/C19H37FN2/c1-18(2,13-16-5-9-21-10-6-16)15-19(3,4)14-17-7-11-22(20)12-8-17/h16-17,21H,5-15H2,1-4H3
InChIKeyKHAQRMCNQRZQAI-UHFFFAOYSA-N
XLogP4.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine?
The IUPAC name of 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine (CID 155716813) is 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine.
What is the SMILES notation for 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine?
The canonical SMILES for 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine is CC(C)(CC1CCNCC1)CC(C)(C)CC1CCN(F)CC1.
What is the InChIKey of 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine?
The InChIKey is KHAQRMCNQRZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN2/c1-18(2,13-16-5-9-21-10-6-16)15-19(3,4)14-17-7-11-22(20)12-8-17/h16-17,21H,5-15H2,1-4H3.
What are the key properties of 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine?
1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine has a molecular weight of 312.52 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2,2,4,4-tetramethyl-5-piperidin-4-ylpentyl)piperidine is sourced from PubChem (CID 155716813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).