(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine

C15H29FN2 — CID 167278579

IUPAC(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine
SMILESCC(C)N1CC(N2CC[C@@H](C(C)(C)C)[C@@H](F)C2)C1
InChIInChI=1S/C15H29FN2/c1-11(2)18-8-12(9-18)17-7-6-13(14(16)10-17)15(3,4)5/h11-14H,6-10H2,1-5H3/t13-,14+/m1/s1
InChIKeyOAUUHFQAHNRYFX-KGLIPLIRSA-N
MW256.41 g/mol
LogP2.79
Rot. Bonds2

About (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine

(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine (PubChem CID 167278579) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine.

Molecular Properties

Compound Name(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine
PubChem CID167278579
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine
SMILESCC(C)N1CC(N2CC[C@@H](C(C)(C)C)[C@@H](F)C2)C1
InChIInChI=1S/C15H29FN2/c1-11(2)18-8-12(9-18)17-7-6-13(14(16)10-17)15(3,4)5/h11-14H,6-10H2,1-5H3/t13-,14+/m1/s1
InChIKeyOAUUHFQAHNRYFX-KGLIPLIRSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol
CID 156546476
4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 156546117
1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine
CID 170255458
10-tert-butyl-8-propan-2-yl-8,10-diazabicyclo[4.3.1]decane;methane
CID 160947878
4-(1-propan-2-ylazetidin-3-yl)morpholine
CID 58547003
(4S)-1,3-ditert-butyl-4-fluoropyrrolidine
CID 153470719
4-ethyl-2-propan-2-yl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 123656866
8-[(4-tert-butylpiperidin-1-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 176841713
(5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
CID 153291240
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
1-propan-2-yl-3-[3-(3-propan-2-ylazetidin-1-yl)azetidin-1-yl]azetidine
CID 166559631
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine?
The IUPAC name of (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine (CID 167278579) is (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine.
What is the SMILES notation for (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine?
The canonical SMILES for (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine is CC(C)N1CC(N2CC[C@@H](C(C)(C)C)[C@@H](F)C2)C1.
What is the InChIKey of (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine?
The InChIKey is OAUUHFQAHNRYFX-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H29FN2/c1-11(2)18-8-12(9-18)17-7-6-13(14(16)10-17)15(3,4)5/h11-14H,6-10H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine?
(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine has a molecular weight of 256.41 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine is sourced from PubChem (CID 167278579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).