1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol

C16H26N2O3 — CID 84754739

IUPAC1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol
SMILESCOc1cc(CNCCCO)ccc1N1CCC(O)CC1
InChIInChI=1S/C16H26N2O3/c1-21-16-11-13(12-17-7-2-10-19)3-4-15(16)18-8-5-14(20)6-9-18/h3-4,11,14,17,19-20H,2,5-10,12H2,1H3
InChIKeyQPBNBLCOLZILII-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.13
Rot. Bonds7

About 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol

1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol (PubChem CID 84754739) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol
PubChem CID84754739
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol
SMILESCOc1cc(CNCCCO)ccc1N1CCC(O)CC1
InChIInChI=1S/C16H26N2O3/c1-21-16-11-13(12-17-7-2-10-19)3-4-15(16)18-8-5-14(20)6-9-18/h3-4,11,14,17,19-20H,2,5-10,12H2,1H3
InChIKeyQPBNBLCOLZILII-UHFFFAOYSA-N
XLogP1.13
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[2-(dimethylamino)ethylamino]methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84747778
3-[[4-(4-hydroxypiperidin-1-yl)-3-methoxyphenyl]methylamino]propanoic acid
CID 84754745
1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 84754741
1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
CID 84749929
N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine
CID 84754536
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid
CID 84749928
1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol
CID 84750679
4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 84754239
3-[(4-methoxy-3-propan-2-ylphenyl)methylamino]propan-1-ol
CID 94687238

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol?
The IUPAC name of 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol (CID 84754739) is 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol is COc1cc(CNCCCO)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol?
The InChIKey is QPBNBLCOLZILII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-21-16-11-13(12-17-7-2-10-19)3-4-15(16)18-8-5-14(20)6-9-18/h3-4,11,14,17,19-20H,2,5-10,12H2,1H3.
What are the key properties of 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol?
1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol has a molecular weight of 294.40 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol is sourced from PubChem (CID 84754739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).