[1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol

C18H27BrN4O — CID 118263689

IUPAC[1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol
SMILES[H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(CO)C1
InChIInChI=1S/C18H27BrN4O/c19-15-8-13(9-20)18(21-10-15)23-7-6-17(14(11-23)12-24)22-16-4-2-1-3-5-16/h8-10,14,16-17,20,22,24H,1-7,11-12H2/b20-9+
InChIKeyAQQXDOTXXKXDQP-AWQFTUOYSA-N
MW395.35 g/mol
LogP2.95
Rot. Bonds5

About [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol

[1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol (PubChem CID 118263689) has the molecular formula C18H27BrN4O and a molecular weight of 395.35 g/mol. Its IUPAC name is [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol
PubChem CID118263689
Molecular FormulaC18H27BrN4O
Molecular Weight395.35 g/mol
Exact Mass394.14
IUPAC Name[1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol
SMILES[H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(CO)C1
InChIInChI=1S/C18H27BrN4O/c19-15-8-13(9-20)18(21-10-15)23-7-6-17(14(11-23)12-24)22-16-4-2-1-3-5-16/h8-10,14,16-17,20,22,24H,1-7,11-12H2/b20-9+
InChIKeyAQQXDOTXXKXDQP-AWQFTUOYSA-N
XLogP2.95
TPSA72.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol?
The IUPAC name of [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol (CID 118263689) is [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol?
The canonical SMILES for [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol is [H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(CO)C1.
What is the InChIKey of [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol?
The InChIKey is AQQXDOTXXKXDQP-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H27BrN4O/c19-15-8-13(9-20)18(21-10-15)23-7-6-17(14(11-23)12-24)22-16-4-2-1-3-5-16/h8-10,14,16-17,20,22,24H,1-7,11-12H2/b20-9+.
What are the key properties of [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol?
[1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol has a molecular weight of 395.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol is sourced from PubChem (CID 118263689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).