N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine

C16H24N4 — CID 10659804

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine
SMILESC(=N/[C@@H]1C[C@H]2CC[C@@H]1C2)\N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C16H24N4/c1-2-14-7-12(1)8-15(14)19-11-20-5-3-13(4-6-20)16-9-17-10-18-16/h9-15H,1-8H2,(H,17,18)/b19-11+/t12-,14+,15+/m0/s1
InChIKeyBHUKHINLRWKLNN-HXGWQWMGSA-N
MW272.40 g/mol
LogP2.81
Rot. Bonds3

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine (PubChem CID 10659804) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine
PubChem CID10659804
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine
SMILESC(=N/[C@@H]1C[C@H]2CC[C@@H]1C2)\N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C16H24N4/c1-2-14-7-12(1)8-15(14)19-11-20-5-3-13(4-6-20)16-9-17-10-18-16/h9-15H,1-8H2,(H,17,18)/b19-11+/t12-,14+,15+/m0/s1
InChIKeyBHUKHINLRWKLNN-HXGWQWMGSA-N
XLogP2.81
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine (CID 10659804) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine is C(=N/[C@@H]1C[C@H]2CC[C@@H]1C2)\N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine?
The InChIKey is BHUKHINLRWKLNN-HXGWQWMGSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-14-7-12(1)8-15(14)19-11-20-5-3-13(4-6-20)16-9-17-10-18-16/h9-15H,1-8H2,(H,17,18)/b19-11+/t12-,14+,15+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine has a molecular weight of 272.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanimine is sourced from PubChem (CID 10659804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).