1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine

C19H37FN2 — CID 176630077

IUPAC1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine
SMILESCC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2F)CC1
InChIInChI=1S/C19H37FN2/c1-18(2,3)16-8-10-21(11-9-16)13-15-7-12-22(14-17(15)20)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyITXULXXTLLIPMK-UHFFFAOYSA-N
MW312.52 g/mol
LogP4.20
Rot. Bonds2

About 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine

1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine (PubChem CID 176630077) has the molecular formula C19H37FN2 and a molecular weight of 312.52 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine
PubChem CID176630077
Molecular FormulaC19H37FN2
Molecular Weight312.52 g/mol
Exact Mass312.29
IUPAC Name1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine
SMILESCC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2F)CC1
InChIInChI=1S/C19H37FN2/c1-18(2,3)16-8-10-21(11-9-16)13-15-7-12-22(14-17(15)20)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyITXULXXTLLIPMK-UHFFFAOYSA-N
XLogP4.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine?
The IUPAC name of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine (CID 176630077) is 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine.
What is the SMILES notation for 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine?
The canonical SMILES for 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine is CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2F)CC1.
What is the InChIKey of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine?
The InChIKey is ITXULXXTLLIPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN2/c1-18(2,3)16-8-10-21(11-9-16)13-15-7-12-22(14-17(15)20)19(4,5)6/h15-17H,7-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine?
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine has a molecular weight of 312.52 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]-3-fluoropiperidine is sourced from PubChem (CID 176630077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).