(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine

C17H33FN2 — CID 170629430

IUPAC(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
SMILESCC(C)C1CCN(C[C@H]2CCN(C(C)C)C[C@H]2F)CC1
InChIInChI=1S/C17H33FN2/c1-13(2)15-5-8-19(9-6-15)11-16-7-10-20(14(3)4)12-17(16)18/h13-17H,5-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyGCLAQUNHLBSDFJ-IAGOWNOFSA-N
MW284.46 g/mol
LogP3.42
Rot. Bonds4

About (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine

(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine (PubChem CID 170629430) has the molecular formula C17H33FN2 and a molecular weight of 284.46 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
PubChem CID170629430
Molecular FormulaC17H33FN2
Molecular Weight284.46 g/mol
Exact Mass284.26
IUPAC Name(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
SMILESCC(C)C1CCN(C[C@H]2CCN(C(C)C)C[C@H]2F)CC1
InChIInChI=1S/C17H33FN2/c1-13(2)15-5-8-19(9-6-15)11-16-7-10-20(14(3)4)12-17(16)18/h13-17H,5-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyGCLAQUNHLBSDFJ-IAGOWNOFSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine with MolForge

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Related Compounds

(3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine
CID 176983713
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1,4-di(propan-2-yl)piperidine
CID 21303253
1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 165137582
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 20664177
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine (CID 170629430) is (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine is CC(C)C1CCN(C[C@H]2CCN(C(C)C)C[C@H]2F)CC1.
What is the InChIKey of (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The InChIKey is GCLAQUNHLBSDFJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H33FN2/c1-13(2)15-5-8-19(9-6-15)11-16-7-10-20(14(3)4)12-17(16)18/h13-17H,5-12H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine has a molecular weight of 284.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 170629430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).