4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol

C16H17NO — CID 126828698

IUPAC4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol
SMILESC#Cc1ccc(CN2CCC(O)(C#C)CC2)cc1
InChIInChI=1S/C16H17NO/c1-3-14-5-7-15(8-6-14)13-17-11-9-16(18,4-2)10-12-17/h1-2,5-8,18H,9-13H2
InChIKeyWNQFVXNMUOSCTK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.63
Rot. Bonds2

About 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol

4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol (PubChem CID 126828698) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol
PubChem CID126828698
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol
SMILESC#Cc1ccc(CN2CCC(O)(C#C)CC2)cc1
InChIInChI=1S/C16H17NO/c1-3-14-5-7-15(8-6-14)13-17-11-9-16(18,4-2)10-12-17/h1-2,5-8,18H,9-13H2
InChIKeyWNQFVXNMUOSCTK-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-4-(2-phenylethynyl)piperidin-4-ol
CID 2729868
N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine
CID 10236303
1-[[4-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-ol
CID 10286561
1-Benzylpiperidin-4-ol
CID 78461
1-Benzyl-4-hydroxypiperidine-4-carbonitrile
CID 80189
4-(Aminomethyl)-1-benzylpiperidin-4-ol
CID 10421026
N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine
CID 10149527
N,N-diethyl-4-[4-(piperidin-1-ylmethyl)phenyl]but-3-yn-1-amine
CID 10214918
1-[(4-Octylphenyl)methyl]piperidin-4-ol
CID 72735265
1-Benzyl-3-methylpiperidin-3-ol
CID 15283107
1-Benzyl-4-hydroxypiperidine-4-carbonitrile monohydrochloride
CID 2723780
4-(4-{[3-(2-Hydroxyethyl)-4-(3-methyl-2-buten-1-yl)-1-piperazinyl]methyl}phenyl)-2-methyl-3-butyn-2-ol
CID 16187361

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol (CID 126828698) is 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol is C#Cc1ccc(CN2CCC(O)(C#C)CC2)cc1.
What is the InChIKey of 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol?
The InChIKey is WNQFVXNMUOSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-14-5-7-15(8-6-14)13-17-11-9-16(18,4-2)10-12-17/h1-2,5-8,18H,9-13H2.
What are the key properties of 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol?
4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol has a molecular weight of 239.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-[(4-ethynylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 126828698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).