1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine

C18H35FN2 — CID 139427883

IUPAC1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine
SMILESCC(C)(CCC(C)(C)N1CCC(F)CC1)N1CCCCC1
InChIInChI=1S/C18H35FN2/c1-17(2,20-12-6-5-7-13-20)10-11-18(3,4)21-14-8-16(19)9-15-21/h16H,5-15H2,1-4H3
InChIKeyBOCQBJHHBGIVIG-UHFFFAOYSA-N
MW298.49 g/mol
LogP4.24
Rot. Bonds5

About 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine

1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine (PubChem CID 139427883) has the molecular formula C18H35FN2 and a molecular weight of 298.49 g/mol. Its IUPAC name is 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine.

Molecular Properties

Compound Name1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine
PubChem CID139427883
Molecular FormulaC18H35FN2
Molecular Weight298.49 g/mol
Exact Mass298.28
IUPAC Name1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine
SMILESCC(C)(CCC(C)(C)N1CCC(F)CC1)N1CCCCC1
InChIInChI=1S/C18H35FN2/c1-17(2,20-12-6-5-7-13-20)10-11-18(3,4)21-14-8-16(19)9-15-21/h16H,5-15H2,1-4H3
InChIKeyBOCQBJHHBGIVIG-UHFFFAOYSA-N
XLogP4.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine?
The IUPAC name of 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine (CID 139427883) is 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine.
What is the SMILES notation for 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine?
The canonical SMILES for 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine is CC(C)(CCC(C)(C)N1CCC(F)CC1)N1CCCCC1.
What is the InChIKey of 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine?
The InChIKey is BOCQBJHHBGIVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2/c1-17(2,20-12-6-5-7-13-20)10-11-18(3,4)21-14-8-16(19)9-15-21/h16H,5-15H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine?
1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine has a molecular weight of 298.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-5-piperidin-1-ylhexan-2-yl)-4-fluoropiperidine is sourced from PubChem (CID 139427883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).