5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol

C16H26N2O2 — CID 106836255

IUPAC5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
SMILESCNC(C)c1ccc(N2CCC(C(C)O)CC2)cc1O
InChIInChI=1S/C16H26N2O2/c1-11(17-3)15-5-4-14(10-16(15)20)18-8-6-13(7-9-18)12(2)19/h4-5,10-13,17,19-20H,6-9H2,1-3H3
InChIKeyGEZQTPVUDRPRFU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.27
Rot. Bonds4

About 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol

5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol (PubChem CID 106836255) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
PubChem CID106836255
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
SMILESCNC(C)c1ccc(N2CCC(C(C)O)CC2)cc1O
InChIInChI=1S/C16H26N2O2/c1-11(17-3)15-5-4-14(10-16(15)20)18-8-6-13(7-9-18)12(2)19/h4-5,10-13,17,19-20H,6-9H2,1-3H3
InChIKeyGEZQTPVUDRPRFU-UHFFFAOYSA-N
XLogP2.27
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103496849
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600236
5-[4-(dimethylamino)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600608
5-(4-ethylazepan-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79604082
2-[1-(methylamino)ethyl]-5-(4-propylazepan-1-yl)phenol
CID 79591465
2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103498532
5-(4,4-diethylpiperidin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79591200
5-(3-ethyl-4-methylpiperazin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79603649
2-[1-(methylamino)ethyl]-5-(1,4-thiazepan-4-yl)phenol
CID 79603969
1-[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]ethanol
CID 106836301
1-[3-hydroxy-4-[1-(methylamino)ethyl]phenyl]-4-methylazepan-4-ol
CID 107405015
2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
CID 79603318

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol?
The IUPAC name of 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol (CID 106836255) is 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol.
What is the SMILES notation for 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol?
The canonical SMILES for 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol is CNC(C)c1ccc(N2CCC(C(C)O)CC2)cc1O.
What is the InChIKey of 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol?
The InChIKey is GEZQTPVUDRPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(17-3)15-5-4-14(10-16(15)20)18-8-6-13(7-9-18)12(2)19/h4-5,10-13,17,19-20H,6-9H2,1-3H3.
What are the key properties of 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol?
5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol is sourced from PubChem (CID 106836255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).