1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol

C17H29N3O — CID 70785957

IUPAC1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)CC1(O)CCCN(Cc2ccc(CCN)cc2)C1
InChIInChI=1S/C17H29N3O/c1-19(2)13-17(21)9-3-11-20(14-17)12-16-6-4-15(5-7-16)8-10-18/h4-7,21H,3,8-14,18H2,1-2H3
InChIKeyMXDONCQUSGRAHX-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.08
Rot. Bonds6

About 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol

1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol (PubChem CID 70785957) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
PubChem CID70785957
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
SMILESCN(C)CC1(O)CCCN(Cc2ccc(CCN)cc2)C1
InChIInChI=1S/C17H29N3O/c1-19(2)13-17(21)9-3-11-20(14-17)12-16-6-4-15(5-7-16)8-10-18/h4-7,21H,3,8-14,18H2,1-2H3
InChIKeyMXDONCQUSGRAHX-UHFFFAOYSA-N
XLogP1.08
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol (CID 70785957) is 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol is CN(C)CC1(O)CCCN(Cc2ccc(CCN)cc2)C1.
What is the InChIKey of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
The InChIKey is MXDONCQUSGRAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19(2)13-17(21)9-3-11-20(14-17)12-16-6-4-15(5-7-16)8-10-18/h4-7,21H,3,8-14,18H2,1-2H3.
What are the key properties of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol?
1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol has a molecular weight of 291.44 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol is sourced from PubChem (CID 70785957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).