4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol

C16H26N2O2 — CID 28717433

IUPAC4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
SMILESCOc1ccc(O)c(CNC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-8-6-14(7-9-18)17-11-13-10-15(20-3)4-5-16(13)19/h4-5,10,12,14,17,19H,6-9,11H2,1-3H3
InChIKeyFJJPFAJFXDXSTH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds5

About 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol

4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 28717433) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
PubChem CID28717433
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
SMILESCOc1ccc(O)c(CNC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-8-6-14(7-9-18)17-11-13-10-15(20-3)4-5-16(13)19/h4-5,10,12,14,17,19H,6-9,11H2,1-3H3
InChIKeyFJJPFAJFXDXSTH-UHFFFAOYSA-N
XLogP2.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
N-[(4-methoxyphenyl)methyl]-1-propan-2-ylazepan-4-amine
CID 65072733
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28716549
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 103784734
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol
CID 43694220
2-[(cyclooctylamino)methyl]-4-(2,5-dimethoxyphenyl)phenol
CID 45488585
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol (CID 28717433) is 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol is COc1ccc(O)c(CNC2CCN(C(C)C)CC2)c1.
What is the InChIKey of 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is FJJPFAJFXDXSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18-8-6-14(7-9-18)17-11-13-10-15(20-3)4-5-16(13)19/h4-5,10,12,14,17,19H,6-9,11H2,1-3H3.
What are the key properties of 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol?
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 28717433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).