4-(aminomethyl)-1-benzylpiperidin-4-ol

C13H20N2O — CID 10421026

IUPAC4-(aminomethyl)-1-benzylpiperidin-4-ol
SMILESNCC1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-11,14H2
InChIKeyIWYHVVSOLJTLRK-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.97
Rot. Bonds3

About 4-(aminomethyl)-1-benzylpiperidin-4-ol

4-(aminomethyl)-1-benzylpiperidin-4-ol (PubChem CID 10421026) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-benzylpiperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-benzylpiperidin-4-ol
PubChem CID10421026
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(aminomethyl)-1-benzylpiperidin-4-ol
SMILESNCC1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-11,14H2
InChIKeyIWYHVVSOLJTLRK-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-benzylpiperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-benzylpiperidin-4-ol (CID 10421026) is 4-(aminomethyl)-1-benzylpiperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-benzylpiperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-benzylpiperidin-4-ol is NCC1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-benzylpiperidin-4-ol?
The InChIKey is IWYHVVSOLJTLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-11,14H2.
What are the key properties of 4-(aminomethyl)-1-benzylpiperidin-4-ol?
4-(aminomethyl)-1-benzylpiperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-benzylpiperidin-4-ol is sourced from PubChem (CID 10421026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).