4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol

C14H23N3O — CID 82297182

IUPAC4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol
SMILESCN(C)c1ccc(N2CCC(O)(CN)CC2)cc1
InChIInChI=1S/C14H23N3O/c1-16(2)12-3-5-13(6-4-12)17-9-7-14(18,11-15)8-10-17/h3-6,18H,7-11,15H2,1-2H3
InChIKeyTZZPTVDHOCOPGC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.04
Rot. Bonds3

About 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol

4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol (PubChem CID 82297182) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol
PubChem CID82297182
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol
SMILESCN(C)c1ccc(N2CCC(O)(CN)CC2)cc1
InChIInChI=1S/C14H23N3O/c1-16(2)12-3-5-13(6-4-12)17-9-7-14(18,11-15)8-10-17/h3-6,18H,7-11,15H2,1-2H3
InChIKeyTZZPTVDHOCOPGC-UHFFFAOYSA-N
XLogP1.04
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol (CID 82297182) is 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol is CN(C)c1ccc(N2CCC(O)(CN)CC2)cc1.
What is the InChIKey of 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol?
The InChIKey is TZZPTVDHOCOPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)12-3-5-13(6-4-12)17-9-7-14(18,11-15)8-10-17/h3-6,18H,7-11,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol?
4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol has a molecular weight of 249.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[4-(dimethylamino)phenyl]piperidin-4-ol is sourced from PubChem (CID 82297182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).