(3S)-3-fluoro-1-(2-methylpropyl)piperidine

C9H18FN — CID 130368506

IUPAC(3S)-3-fluoro-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC[C@H](F)C1
InChIInChI=1S/C9H18FN/c1-8(2)6-11-5-3-4-9(10)7-11/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyITDALVBSSMHSJC-VIFPVBQESA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds2

About (3S)-3-fluoro-1-(2-methylpropyl)piperidine

(3S)-3-fluoro-1-(2-methylpropyl)piperidine (PubChem CID 130368506) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (3S)-3-fluoro-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-(2-methylpropyl)piperidine
PubChem CID130368506
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(3S)-3-fluoro-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC[C@H](F)C1
InChIInChI=1S/C9H18FN/c1-8(2)6-11-5-3-4-9(10)7-11/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyITDALVBSSMHSJC-VIFPVBQESA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-1-(4-methylpentyl)piperidine
CID 58664939
1-bromo-3-(3-fluoropiperidin-1-yl)propan-2-ol
CID 164659374
1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine
CID 169241986
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 176562259
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one
CID 83982945
(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
CID 176977042
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
N-methyl-2-[1-(2-methylpropyl)piperidin-3-yl]ethanamine
CID 83982939
N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
CID 77041248

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-(2-methylpropyl)piperidine?
The IUPAC name of (3S)-3-fluoro-1-(2-methylpropyl)piperidine (CID 130368506) is (3S)-3-fluoro-1-(2-methylpropyl)piperidine.
What is the SMILES notation for (3S)-3-fluoro-1-(2-methylpropyl)piperidine?
The canonical SMILES for (3S)-3-fluoro-1-(2-methylpropyl)piperidine is CC(C)CN1CCC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-(2-methylpropyl)piperidine?
The InChIKey is ITDALVBSSMHSJC-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)6-11-5-3-4-9(10)7-11/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-(2-methylpropyl)piperidine?
(3S)-3-fluoro-1-(2-methylpropyl)piperidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 130368506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).