4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol

C15H19NO — CID 10609465

IUPAC4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol
SMILESC#CCN1CCC(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C15H19NO/c1-2-9-16-10-7-14(8-11-16)12-13-3-5-15(17)6-4-13/h1,3-6,14,17H,7-12H2
InChIKeyHPNZRWJXHJLAJN-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.28
Rot. Bonds3

About 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol

4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol (PubChem CID 10609465) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol
PubChem CID10609465
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol
SMILESC#CCN1CCC(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C15H19NO/c1-2-9-16-10-7-14(8-11-16)12-13-3-5-15(17)6-4-13/h1,3-6,14,17H,7-12H2
InChIKeyHPNZRWJXHJLAJN-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.28
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

4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
1-but-3-ynyl-4-[(4-chlorophenyl)methyl]piperidine
CID 10682872
4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol
CID 18621544
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[(E)-3-[4-[(4-methylphenyl)methyl]piperidin-1-yl]prop-1-enyl]phenol
CID 140981974
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
4-ethyl-1-prop-2-ynylpiperidine
CID 60965394
4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine
CID 15329907
4-[[1-(1,2,5-thiadiazol-3-ylmethyl)pyrrolidin-3-yl]methyl]phenol
CID 167750898
4-[(1R,2R)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 54452622
4-[(1S,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 6603988
4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol
CID 56974173

Frequently Asked Questions

What is the IUPAC name of 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol?
The IUPAC name of 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol (CID 10609465) is 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol?
The canonical SMILES for 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol is C#CCN1CCC(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol?
The InChIKey is HPNZRWJXHJLAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-9-16-10-7-14(8-11-16)12-13-3-5-15(17)6-4-13/h1,3-6,14,17H,7-12H2.
What are the key properties of 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol?
4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol has a molecular weight of 229.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-prop-2-ynylpiperidin-4-yl)methyl]phenol is sourced from PubChem (CID 10609465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).