(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol

C9H18FNO — CID 176977042

IUPAC(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CN1CC[C@@H](O)[C@H](F)C1
InChIInChI=1S/C9H18FNO/c1-7(2)5-11-4-3-9(12)8(10)6-11/h7-9,12H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyRCRYGQVLHWZVSI-RKDXNWHRSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds2

About (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol

(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol (PubChem CID 176977042) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
PubChem CID176977042
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CN1CC[C@@H](O)[C@H](F)C1
InChIInChI=1S/C9H18FNO/c1-7(2)5-11-4-3-9(12)8(10)6-11/h7-9,12H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyRCRYGQVLHWZVSI-RKDXNWHRSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
4-(hydroxymethyl)-1-(2-methylpropyl)piperidin-3-ol
CID 130703735
1-[[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 165137582
(3S)-3-fluoro-1-(2-methylpropyl)piperidine
CID 130368506
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
1-(3-fluoro-4-methylpiperidin-1-yl)propan-2-ol
CID 130675497
3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
1-(2-methoxypropyl)-3-methylpiperidin-4-ol
CID 114502642
ethane;1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 171515513
(3R,4R)-3-fluoro-4-methyl-1-(2-methylpropyl)piperidin-4-ol
CID 176977090

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol (CID 176977042) is (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol is CC(C)CN1CC[C@@H](O)[C@H](F)C1.
What is the InChIKey of (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol?
The InChIKey is RCRYGQVLHWZVSI-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)5-11-4-3-9(12)8(10)6-11/h7-9,12H,3-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol?
(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 176977042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).