[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium

C10H21N3OP+ — CID 139358056

IUPAC[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium
SMILES[H]/N=C/C(=C\N)C1CNCC([P+](C)(C)O)C1
InChIInChI=1S/C10H21N3OP/c1-15(2,14)10-3-8(6-13-7-10)9(4-11)5-12/h4-5,8,10-11,13-14H,3,6-7,12H2,1-2H3/q+1/b9-5+,11-4+
InChIKeyWDDAWBSUMLDTSK-IZRNULKBSA-N
MW230.27 g/mol
LogP0.64
Rot. Bonds3

About [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium

[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium (PubChem CID 139358056) has the molecular formula C10H21N3OP+ and a molecular weight of 230.27 g/mol. Its IUPAC name is [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium.

Molecular Properties

Compound Name[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium
PubChem CID139358056
Molecular FormulaC10H21N3OP+
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium
SMILES[H]/N=C/C(=C\N)C1CNCC([P+](C)(C)O)C1
InChIInChI=1S/C10H21N3OP/c1-15(2,14)10-3-8(6-13-7-10)9(4-11)5-12/h4-5,8,10-11,13-14H,3,6-7,12H2,1-2H3/q+1/b9-5+,11-4+
InChIKeyWDDAWBSUMLDTSK-IZRNULKBSA-N
XLogP0.64
TPSA82.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium?
The IUPAC name of [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium (CID 139358056) is [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium.
What is the SMILES notation for [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium?
The canonical SMILES for [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium is [H]/N=C/C(=C\N)C1CNCC([P+](C)(C)O)C1.
What is the InChIKey of [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium?
The InChIKey is WDDAWBSUMLDTSK-IZRNULKBSA-N. The full InChI is InChI=1S/C10H21N3OP/c1-15(2,14)10-3-8(6-13-7-10)9(4-11)5-12/h4-5,8,10-11,13-14H,3,6-7,12H2,1-2H3/q+1/b9-5+,11-4+.
What are the key properties of [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium?
[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium has a molecular weight of 230.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium is sourced from PubChem (CID 139358056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).