[(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone

C13H22N2O — CID 57014475

IUPAC[(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@H]2CC=CC[C@@H]2N)CC1
InChIInChI=1S/C13H22N2O/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14/h2-3,10-12H,4-9,14H2,1H3/t11-,12-/m0/s1
InChIKeyHBIONBWZHKXAOV-RYUDHWBXSA-N
MW222.33 g/mol
LogP1.54
Rot. Bonds1

About [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone

[(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 57014475) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID57014475
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@H]2CC=CC[C@@H]2N)CC1
InChIInChI=1S/C13H22N2O/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14/h2-3,10-12H,4-9,14H2,1H3/t11-,12-/m0/s1
InChIKeyHBIONBWZHKXAOV-RYUDHWBXSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone (CID 57014475) is [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)[C@H]2CC=CC[C@@H]2N)CC1.
What is the InChIKey of [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HBIONBWZHKXAOV-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14/h2-3,10-12H,4-9,14H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone?
[(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S)-6-aminocyclohex-3-en-1-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 57014475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).