4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol

C15H24N2O2 — CID 28716549

IUPAC4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
SMILESCC(C)N1CCC(NCc2ccc(O)c(O)c2)CC1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-7-5-13(6-8-17)16-10-12-3-4-14(18)15(19)9-12/h3-4,9,11,13,16,18-19H,5-8,10H2,1-2H3
InChIKeySCHITULUYJQVNO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.06
Rot. Bonds4

About 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol

4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol (PubChem CID 28716549) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
PubChem CID28716549
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
SMILESCC(C)N1CCC(NCc2ccc(O)c(O)c2)CC1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-7-5-13(6-8-17)16-10-12-3-4-14(18)15(19)9-12/h3-4,9,11,13,16,18-19H,5-8,10H2,1-2H3
InChIKeySCHITULUYJQVNO-UHFFFAOYSA-N
XLogP2.06
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 103784734
4-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]benzene-1,2-diol
CID 61208305
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzonitrile
CID 28716590
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 103784727
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 64738706
4-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]benzene-1,2-diol
CID 43434626
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595
N-[(4-nitrophenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073362

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol (CID 28716549) is 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol is CC(C)N1CCC(NCc2ccc(O)c(O)c2)CC1.
What is the InChIKey of 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol?
The InChIKey is SCHITULUYJQVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-7-5-13(6-8-17)16-10-12-3-4-14(18)15(19)9-12/h3-4,9,11,13,16,18-19H,5-8,10H2,1-2H3.
What are the key properties of 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol?
4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol has a molecular weight of 264.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol is sourced from PubChem (CID 28716549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).