3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol

C16H21NO2 — CID 102964608

IUPAC3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
SMILESCOC1CCCN(Cc2ccc(C#CCO)cc2)C1
InChIInChI=1S/C16H21NO2/c1-19-16-5-2-10-17(13-16)12-15-8-6-14(7-9-15)4-3-11-18/h6-9,16,18H,2,5,10-13H2,1H3
InChIKeyIUOYUVVMDRNZTL-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.64
Rot. Bonds3

About 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol

3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol (PubChem CID 102964608) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
PubChem CID102964608
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
SMILESCOC1CCCN(Cc2ccc(C#CCO)cc2)C1
InChIInChI=1S/C16H21NO2/c1-19-16-5-2-10-17(13-16)12-15-8-6-14(7-9-15)4-3-11-18/h6-9,16,18H,2,5,10-13H2,1H3
InChIKeyIUOYUVVMDRNZTL-UHFFFAOYSA-N
XLogP1.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidin-3-ol
CID 54970174
3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964619
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
3-[4-[2-(3-methoxypyrrolidin-1-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 103537583
(3R,4S)-1-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3,4-dimethylpiperidin-4-ol
CID 70761370
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373
N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 102968242
3-[3-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102964533
3-[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969684
3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969834

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol (CID 102964608) is 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol is COC1CCCN(Cc2ccc(C#CCO)cc2)C1.
What is the InChIKey of 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is IUOYUVVMDRNZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-16-5-2-10-17(13-16)12-15-8-6-14(7-9-15)4-3-11-18/h6-9,16,18H,2,5,10-13H2,1H3.
What are the key properties of 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 102964608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).