1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine

C19H35FN2 — CID 170952277

IUPAC1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine
SMILESCCC1CC(N2CCC(F)(CC3CCN(CC)CC3)CC2)C1
InChIInChI=1S/C19H35FN2/c1-3-16-13-18(14-16)22-11-7-19(20,8-12-22)15-17-5-9-21(4-2)10-6-17/h16-18H,3-15H2,1-2H3
InChIKeyMQIKWVDWSGSWDD-UHFFFAOYSA-N
MW310.50 g/mol
LogP4.10
Rot. Bonds5

About 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine

1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine (PubChem CID 170952277) has the molecular formula C19H35FN2 and a molecular weight of 310.50 g/mol. Its IUPAC name is 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine
PubChem CID170952277
Molecular FormulaC19H35FN2
Molecular Weight310.50 g/mol
Exact Mass310.28
IUPAC Name1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine
SMILESCCC1CC(N2CCC(F)(CC3CCN(CC)CC3)CC2)C1
InChIInChI=1S/C19H35FN2/c1-3-16-13-18(14-16)22-11-7-19(20,8-12-22)15-17-5-9-21(4-2)10-6-17/h16-18H,3-15H2,1-2H3
InChIKeyMQIKWVDWSGSWDD-UHFFFAOYSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine?
The IUPAC name of 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine (CID 170952277) is 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine is CCC1CC(N2CCC(F)(CC3CCN(CC)CC3)CC2)C1.
What is the InChIKey of 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine?
The InChIKey is MQIKWVDWSGSWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN2/c1-3-16-13-18(14-16)22-11-7-19(20,8-12-22)15-17-5-9-21(4-2)10-6-17/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine?
1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine has a molecular weight of 310.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 170952277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).