3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine

C18H35FN2 — CID 170952475

IUPAC3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC2(C)CCN(C(C)C)CC2)CC1F
InChIInChI=1S/C18H35FN2/c1-14(2)16-6-9-20(12-17(16)19)13-18(5)7-10-21(11-8-18)15(3)4/h14-17H,6-13H2,1-5H3
InChIKeyDKPSOAHRHCFHEN-UHFFFAOYSA-N
MW298.49 g/mol
LogP3.81
Rot. Bonds4

About 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine

3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine (PubChem CID 170952475) has the molecular formula C18H35FN2 and a molecular weight of 298.49 g/mol. Its IUPAC name is 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine
PubChem CID170952475
Molecular FormulaC18H35FN2
Molecular Weight298.49 g/mol
Exact Mass298.28
IUPAC Name3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC2(C)CCN(C(C)C)CC2)CC1F
InChIInChI=1S/C18H35FN2/c1-14(2)16-6-9-20(12-17(16)19)13-18(5)7-10-21(11-8-18)15(3)4/h14-17H,6-13H2,1-5H3
InChIKeyDKPSOAHRHCFHEN-UHFFFAOYSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-Methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane
CID 10825682
4-Tert-butyl-1-(1-fluoropropan-2-yl)piperidine
CID 58394537
4-Tert-butyl-3-fluoro-1-propan-2-ylpiperidine
CID 59442719
1-Tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine
CID 129258290
1-(1-Tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
CID 129258302
(3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine
CID 129258483
4-Tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 130219154
4-[2-(4-Fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 130429287
4-[2-(4-Fluoropiperidin-1-yl)propan-2-yl]-2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
CID 132158384
4-Tert-butyl-1-[5-[1-(2-fluoroethyl)-4-methylpiperidin-4-yl]-2,5-dimethylhexyl]-4-methylpiperidine
CID 132262451
4-Tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine
CID 134184115
1-[4-(4,4-Difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine
CID 138612303

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine?
The IUPAC name of 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine (CID 170952475) is 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine is CC(C)C1CCN(CC2(C)CCN(C(C)C)CC2)CC1F.
What is the InChIKey of 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine?
The InChIKey is DKPSOAHRHCFHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2/c1-14(2)16-6-9-20(12-17(16)19)13-18(5)7-10-21(11-8-18)15(3)4/h14-17H,6-13H2,1-5H3.
What are the key properties of 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine?
3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine has a molecular weight of 298.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 170952475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).