tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate

C14H26FNO3 — CID 115050990

IUPACtert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(F)CC1CN(C(=O)OC(C)(C)C)CCC1CO
InChIInChI=1S/C14H26FNO3/c1-10(15)7-12-8-16(6-5-11(12)9-17)13(18)19-14(2,3)4/h10-12,17H,5-9H2,1-4H3
InChIKeyXQXSVQPQVFWBJJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 115050990) has the molecular formula C14H26FNO3 and a molecular weight of 275.36 g/mol. Its IUPAC name is tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID115050990
Molecular FormulaC14H26FNO3
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(F)CC1CN(C(=O)OC(C)(C)C)CCC1CO
InChIInChI=1S/C14H26FNO3/c1-10(15)7-12-8-16(6-5-11(12)9-17)13(18)19-14(2,3)4/h10-12,17H,5-9H2,1-4H3
InChIKeyXQXSVQPQVFWBJJ-UHFFFAOYSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(aminomethyl)-4-(2-fluoropropyl)pyrrolidine-1-carboxylate
CID 115048631
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
CID 123134891
tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128555
tert-butyl (3R,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170554641
tert-butyl (3S,4R)-3-fluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 131734058
tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 76844460
tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
CID 53302080
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
CID 114451997
tert-butyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 129407130
tert-butyl 3-(1-fluoropent-4-enyl)pyrrolidine-1-carboxylate
CID 146486000

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate (CID 115050990) is tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate is CC(F)CC1CN(C(=O)OC(C)(C)C)CCC1CO.
What is the InChIKey of tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is XQXSVQPQVFWBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO3/c1-10(15)7-12-8-16(6-5-11(12)9-17)13(18)19-14(2,3)4/h10-12,17H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 275.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-fluoropropyl)-4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 115050990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).