(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine

C12H23FN2 — CID 153337127

IUPAC(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine
SMILESC=C(CC(C)(C)C)N1CC[C@H](N)C(F)C1
InChIInChI=1S/C12H23FN2/c1-9(7-12(2,3)4)15-6-5-11(14)10(13)8-15/h10-11H,1,5-8,14H2,2-4H3/t10?,11-/m0/s1
InChIKeyVNOVFMJDHGXPMP-DTIOYNMSSA-N
MW214.33 g/mol
LogP2.31
Rot. Bonds2

About (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine

(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine (PubChem CID 153337127) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine.

Molecular Properties

Compound Name(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine
PubChem CID153337127
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine
SMILESC=C(CC(C)(C)C)N1CC[C@H](N)C(F)C1
InChIInChI=1S/C12H23FN2/c1-9(7-12(2,3)4)15-6-5-11(14)10(13)8-15/h10-11H,1,5-8,14H2,2-4H3/t10?,11-/m0/s1
InChIKeyVNOVFMJDHGXPMP-DTIOYNMSSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine?
The IUPAC name of (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine (CID 153337127) is (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine.
What is the SMILES notation for (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine?
The canonical SMILES for (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine is C=C(CC(C)(C)C)N1CC[C@H](N)C(F)C1.
What is the InChIKey of (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine?
The InChIKey is VNOVFMJDHGXPMP-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23FN2/c1-9(7-12(2,3)4)15-6-5-11(14)10(13)8-15/h10-11H,1,5-8,14H2,2-4H3/t10?,11-/m0/s1.
What are the key properties of (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine?
(4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine has a molecular weight of 214.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4,4-dimethylpent-1-en-2-yl)-3-fluoropiperidin-4-amine is sourced from PubChem (CID 153337127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).