(3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine

C8H15FN2 — CID 155111194

IUPAC(3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine
SMILESC/C=C/[C@H]1C[C@H](F)CN(N)C1
InChIInChI=1S/C8H15FN2/c1-2-3-7-4-8(9)6-11(10)5-7/h2-3,7-8H,4-6,10H2,1H3/b3-2+/t7-,8-/m0/s1
InChIKeyBITCHNZZCKDNBM-HZIBQTDNSA-N
MW158.22 g/mol
LogP1.10
Rot. Bonds1

About (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine

(3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine (PubChem CID 155111194) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine.

Molecular Properties

Compound Name(3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine
PubChem CID155111194
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine
SMILESC/C=C/[C@H]1C[C@H](F)CN(N)C1
InChIInChI=1S/C8H15FN2/c1-2-3-7-4-8(9)6-11(10)5-7/h2-3,7-8H,4-6,10H2,1H3/b3-2+/t7-,8-/m0/s1
InChIKeyBITCHNZZCKDNBM-HZIBQTDNSA-N
XLogP1.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine?
The IUPAC name of (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine (CID 155111194) is (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine.
What is the SMILES notation for (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine?
The canonical SMILES for (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine is C/C=C/[C@H]1C[C@H](F)CN(N)C1.
What is the InChIKey of (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine?
The InChIKey is BITCHNZZCKDNBM-HZIBQTDNSA-N. The full InChI is InChI=1S/C8H15FN2/c1-2-3-7-4-8(9)6-11(10)5-7/h2-3,7-8H,4-6,10H2,1H3/b3-2+/t7-,8-/m0/s1.
What are the key properties of (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine?
(3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine has a molecular weight of 158.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-fluoro-5-[(E)-prop-1-enyl]piperidin-1-amine is sourced from PubChem (CID 155111194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).