4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol

C19H24N2O2 — CID 83453608

IUPAC4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
SMILESOc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C19H24N2O2/c22-18-7-6-16(19(23)12-18)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,20,22-23H,8-11,13-14H2
InChIKeyDWFUTZFPGPEXNL-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.85
Rot. Bonds5

About 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol

4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol (PubChem CID 83453608) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
PubChem CID83453608
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
SMILESOc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C19H24N2O2/c22-18-7-6-16(19(23)12-18)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,20,22-23H,8-11,13-14H2
InChIKeyDWFUTZFPGPEXNL-UHFFFAOYSA-N
XLogP2.85
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
CID 57217646
4-[(1-benzylpyrrolidin-3-yl)methyl]benzene-1,3-diol
CID 123562448
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
CID 135971342
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 79032189
1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
CID 70166037
1-benzyl-N-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-amine
CID 10177971
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol (CID 83453608) is 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol is Oc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(O)c1.
What is the InChIKey of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol?
The InChIKey is DWFUTZFPGPEXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-7-6-16(19(23)12-18)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,20,22-23H,8-11,13-14H2.
What are the key properties of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol?
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol has a molecular weight of 312.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 83453608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).