1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol

C16H26N2O2 — CID 84754741

IUPAC1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
SMILESCOc1cc(CNC(C)C)ccc1N1CCC(O)CC1
InChIInChI=1S/C16H26N2O2/c1-12(2)17-11-13-4-5-15(16(10-13)20-3)18-8-6-14(19)7-9-18/h4-5,10,12,14,17,19H,6-9,11H2,1-3H3
InChIKeyLFBFPNPRNILVJK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.15
Rot. Bonds5

About 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol

1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol (PubChem CID 84754741) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
PubChem CID84754741
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
SMILESCOc1cc(CNC(C)C)ccc1N1CCC(O)CC1
InChIInChI=1S/C16H26N2O2/c1-12(2)17-11-13-4-5-15(16(10-13)20-3)18-8-6-14(19)7-9-18/h4-5,10,12,14,17,19H,6-9,11H2,1-3H3
InChIKeyLFBFPNPRNILVJK-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84754739
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
N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 84750292
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]cyclopropanamine
CID 84754178
N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84754664
1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol
CID 84750679
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943393
1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
CID 84749929
N-[[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 81147565
2-methoxy-4-[(propan-2-ylamino)methyl]benzoic acid
CID 117220706
2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid
CID 84749928

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol (CID 84754741) is 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol is COc1cc(CNC(C)C)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol?
The InChIKey is LFBFPNPRNILVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)17-11-13-4-5-15(16(10-13)20-3)18-8-6-14(19)7-9-18/h4-5,10,12,14,17,19H,6-9,11H2,1-3H3.
What are the key properties of 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol?
1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 84754741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).