(3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine

C10H18FNO — CID 129278004

IUPAC(3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine
SMILESCC1(CO[C@@H]2CCNC[C@@H]2F)CC1
InChIInChI=1S/C10H18FNO/c1-10(3-4-10)7-13-9-2-5-12-6-8(9)11/h8-9,12H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyIUMJZVQGJBNUOR-DTWKUNHWSA-N
MW187.26 g/mol
LogP1.50
Rot. Bonds3

About (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine

(3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine (PubChem CID 129278004) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine
PubChem CID129278004
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine
SMILESCC1(CO[C@@H]2CCNC[C@@H]2F)CC1
InChIInChI=1S/C10H18FNO/c1-10(3-4-10)7-13-9-2-5-12-6-8(9)11/h8-9,12H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyIUMJZVQGJBNUOR-DTWKUNHWSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine?
The IUPAC name of (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine (CID 129278004) is (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine.
What is the SMILES notation for (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine?
The canonical SMILES for (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine is CC1(CO[C@@H]2CCNC[C@@H]2F)CC1.
What is the InChIKey of (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine?
The InChIKey is IUMJZVQGJBNUOR-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18FNO/c1-10(3-4-10)7-13-9-2-5-12-6-8(9)11/h8-9,12H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine?
(3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine has a molecular weight of 187.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-[(1-methylcyclopropyl)methoxy]piperidine is sourced from PubChem (CID 129278004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).