[1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol

C19H30N2O2 — CID 131929726

IUPAC[1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol
SMILESC=CCc1cc(CNCCN2CCCC(CO)C2)ccc1OC
InChIInChI=1S/C19H30N2O2/c1-3-5-18-12-16(7-8-19(18)23-2)13-20-9-11-21-10-4-6-17(14-21)15-22/h3,7-8,12,17,20,22H,1,4-6,9-11,13-15H2,2H3
InChIKeyHVXPJQAZQYKJSR-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.22
Rot. Bonds9

About [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol

[1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol (PubChem CID 131929726) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol
PubChem CID131929726
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name[1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol
SMILESC=CCc1cc(CNCCN2CCCC(CO)C2)ccc1OC
InChIInChI=1S/C19H30N2O2/c1-3-5-18-12-16(7-8-19(18)23-2)13-20-9-11-21-10-4-6-17(14-21)15-22/h3,7-8,12,17,20,22H,1,4-6,9-11,13-15H2,2H3
InChIKeyHVXPJQAZQYKJSR-UHFFFAOYSA-N
XLogP2.22
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[3-[[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methylamino]propyl]piperidin-3-yl]methanol
CID 131889121
[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 43818111
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
methyl 3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]-4-methoxybenzoate
CID 125163719
methyl 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]-4-methoxybenzoate
CID 125163717
[1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]piperidin-3-yl]methanol
CID 131893362
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanol
CID 107227284
N-benzyl-2-(3-ethylpiperidin-1-yl)ethanamine
CID 62560982
[1-(2-phenylethyl)piperidin-3-yl]methanol;3,4,5-trimethoxybenzoic acid
CID 71439560
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol (CID 131929726) is [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol is C=CCc1cc(CNCCN2CCCC(CO)C2)ccc1OC.
What is the InChIKey of [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol?
The InChIKey is HVXPJQAZQYKJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-5-18-12-16(7-8-19(18)23-2)13-20-9-11-21-10-4-6-17(14-21)15-22/h3,7-8,12,17,20,22H,1,4-6,9-11,13-15H2,2H3.
What are the key properties of [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol?
[1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol has a molecular weight of 318.46 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(4-methoxy-3-prop-2-enylphenyl)methylamino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 131929726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).