3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine

C12H25FN2 — CID 159043159

IUPAC3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine
SMILESCC(C)(C)N1CCC[C@@](F)(CCCN)C1
InChIInChI=1S/C12H25FN2/c1-11(2,3)15-9-5-7-12(13,10-15)6-4-8-14/h4-10,14H2,1-3H3/t12-/m0/s1
InChIKeyJWIFMUSHISEZEU-LBPRGKRZSA-N
MW216.34 g/mol
LogP2.33
Rot. Bonds3

About 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine

3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine (PubChem CID 159043159) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine
PubChem CID159043159
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine
SMILESCC(C)(C)N1CCC[C@@](F)(CCCN)C1
InChIInChI=1S/C12H25FN2/c1-11(2,3)15-9-5-7-12(13,10-15)6-4-8-14/h4-10,14H2,1-3H3/t12-/m0/s1
InChIKeyJWIFMUSHISEZEU-LBPRGKRZSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-1,2,2,6,6-pentamethylpiperidine
CID 693792
2-(1-Methylpiperidin-3-yl)ethan-1-amine
CID 12253960
2-(1,2,2,6,6-Pentamethylpiperidin-4-yl)ethanamine
CID 4005925
3-(1-Methylpiperidin-3-yl)propan-1-amine
CID 15620220
3-(1-Methylpiperidin-4-yl)propan-1-amine
CID 23498080
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
2,2-Dibutylpiperidine
CID 13332422
2-Ethyl-2-(3,3,3-trifluoropropyl)piperidine
CID 17919953
1-Methyl-1,4-diazaspiro[5.5]undecane
CID 20761876
N-[(4-fluoropiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 58266465
N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 58472197
(1-Tert-butyl-4-fluoropiperidin-4-yl)methanamine
CID 68272026

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine?
The IUPAC name of 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine (CID 159043159) is 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine?
The canonical SMILES for 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine is CC(C)(C)N1CCC[C@@](F)(CCCN)C1.
What is the InChIKey of 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine?
The InChIKey is JWIFMUSHISEZEU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25FN2/c1-11(2,3)15-9-5-7-12(13,10-15)6-4-8-14/h4-10,14H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine?
3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine has a molecular weight of 216.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]propan-1-amine is sourced from PubChem (CID 159043159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).