4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol

C13H20N2O — CID 82286374

IUPAC4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
SMILESCc1ccccc1N1CCC(O)(CN)CC1
InChIInChI=1S/C13H20N2O/c1-11-4-2-3-5-12(11)15-8-6-13(16,10-14)7-9-15/h2-5,16H,6-10,14H2,1H3
InChIKeySYFWAOSTEXPVRQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.29
Rot. Bonds2

About 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol

4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol (PubChem CID 82286374) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
PubChem CID82286374
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
SMILESCc1ccccc1N1CCC(O)(CN)CC1
InChIInChI=1S/C13H20N2O/c1-11-4-2-3-5-12(11)15-8-6-13(16,10-14)7-9-15/h2-5,16H,6-10,14H2,1H3
InChIKeySYFWAOSTEXPVRQ-UHFFFAOYSA-N
XLogP1.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol (CID 82286374) is 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol is Cc1ccccc1N1CCC(O)(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol?
The InChIKey is SYFWAOSTEXPVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-4-2-3-5-12(11)15-8-6-13(16,10-14)7-9-15/h2-5,16H,6-10,14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol?
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 82286374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).