4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol

C18H25NO2 — CID 63971977

IUPAC4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
SMILESCOCC1CCN(Cc2ccc(C#CCCO)cc2)CC1
InChIInChI=1S/C18H25NO2/c1-21-15-18-9-11-19(12-10-18)14-17-7-5-16(6-8-17)4-2-3-13-20/h5-8,18,20H,3,9-15H2,1H3
InChIKeySUJOJFKLBAWSAQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.28
Rot. Bonds5

About 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol

4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol (PubChem CID 63971977) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
PubChem CID63971977
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
SMILESCOCC1CCN(Cc2ccc(C#CCCO)cc2)CC1
InChIInChI=1S/C18H25NO2/c1-21-15-18-9-11-19(12-10-18)14-17-7-5-16(6-8-17)4-2-3-13-20/h5-8,18,20H,3,9-15H2,1H3
InChIKeySUJOJFKLBAWSAQ-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.28
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

4-[4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 106837442
4-[3-fluoro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 64597871
4-[2-fluoro-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]but-3-yn-1-ol
CID 64597866
4-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 79184277
(3S,4S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-methylpiperidine-3,4-diol
CID 72891435
[4-(3-hydroxyprop-1-ynyl)phenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63978268
4-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperazine-2,6-dione
CID 66084823
4-[4-(oxan-4-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 62383035
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
4-[4-[[9-(cyclobutylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]but-3-yn-1-ol
CID 45176513
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 113235336
2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346064

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol (CID 63971977) is 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol is COCC1CCN(Cc2ccc(C#CCCO)cc2)CC1.
What is the InChIKey of 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol?
The InChIKey is SUJOJFKLBAWSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-21-15-18-9-11-19(12-10-18)14-17-7-5-16(6-8-17)4-2-3-13-20/h5-8,18,20H,3,9-15H2,1H3.
What are the key properties of 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol?
4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol has a molecular weight of 287.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 63971977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).