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

C17H28N2O2 — CID 43206678

IUPAC5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)NC2CCN(C(C)C)CC2)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)19-9-7-14(8-10-19)18-13(3)16-6-5-15(21-4)11-17(16)20/h5-6,11-14,18,20H,7-10H2,1-4H3
InChIKeyODSSZTWPWRYANK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.92
Rot. Bonds5

About 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol

5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol (PubChem CID 43206678) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
PubChem CID43206678
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)NC2CCN(C(C)C)CC2)c(O)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)19-9-7-14(8-10-19)18-13(3)16-6-5-15(21-4)11-17(16)20/h5-6,11-14,18,20H,7-10H2,1-4H3
InChIKeyODSSZTWPWRYANK-UHFFFAOYSA-N
XLogP2.92
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.92
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-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
5-methoxy-2-[1-[(3-methoxycyclopentyl)amino]ethyl]phenol
CID 103082952
5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol
CID 79357914
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 43747094
2-[1-[(2-hydroxycyclohexyl)amino]ethyl]-5-methoxyphenol
CID 55064076
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
CID 104582308
5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one
CID 63663146
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol (CID 43206678) is 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol is COc1ccc(C(C)NC2CCN(C(C)C)CC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol?
The InChIKey is ODSSZTWPWRYANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)19-9-7-14(8-10-19)18-13(3)16-6-5-15(21-4)11-17(16)20/h5-6,11-14,18,20H,7-10H2,1-4H3.
What are the key properties of 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol?
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 43206678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).