cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol

C15H20N2O — CID 54048321

IUPACcyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol
SMILESOC(NC1=NCCCC1)(c1ccccc1)C1CC1
InChIInChI=1S/C15H20N2O/c18-15(13-9-10-13,12-6-2-1-3-7-12)17-14-8-4-5-11-16-14/h1-3,6-7,13,18H,4-5,8-11H2,(H,16,17)
InChIKeyLRCVVMLLTMPTHP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.41
Rot. Bonds3

About cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol

cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol (PubChem CID 54048321) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol.

Molecular Properties

Compound Namecyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol
PubChem CID54048321
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Namecyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol
SMILESOC(NC1=NCCCC1)(c1ccccc1)C1CC1
InChIInChI=1S/C15H20N2O/c18-15(13-9-10-13,12-6-2-1-3-7-12)17-14-8-4-5-11-16-14/h1-3,6-7,13,18H,4-5,8-11H2,(H,16,17)
InChIKeyLRCVVMLLTMPTHP-UHFFFAOYSA-N
XLogP2.41
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol?
The IUPAC name of cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol (CID 54048321) is cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol.
What is the SMILES notation for cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol?
The canonical SMILES for cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol is OC(NC1=NCCCC1)(c1ccccc1)C1CC1.
What is the InChIKey of cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol?
The InChIKey is LRCVVMLLTMPTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(13-9-10-13,12-6-2-1-3-7-12)17-14-8-4-5-11-16-14/h1-3,6-7,13,18H,4-5,8-11H2,(H,16,17).
What are the key properties of cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol?
cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol has a molecular weight of 244.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol is sourced from PubChem (CID 54048321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).