2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol

C16H25NO — CID 117118109

IUPAC2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
SMILESCC(C)(CO)c1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,12-18)14-8-6-13(7-9-14)11-15-5-3-4-10-17-15/h6-9,15,17-18H,3-5,10-12H2,1-2H3
InChIKeyGJXJYQNMOWDLFV-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.64
Rot. Bonds4

About 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol

2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol (PubChem CID 117118109) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
PubChem CID117118109
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
SMILESCC(C)(CO)c1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C16H25NO/c1-16(2,12-18)14-8-6-13(7-9-14)11-15-5-3-4-10-17-15/h6-9,15,17-18H,3-5,10-12H2,1-2H3
InChIKeyGJXJYQNMOWDLFV-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 174644977
2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117371935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol (CID 117118109) is 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol is CC(C)(CO)c1ccc(CC2CCCCN2)cc1.
What is the InChIKey of 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol?
The InChIKey is GJXJYQNMOWDLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,12-18)14-8-6-13(7-9-14)11-15-5-3-4-10-17-15/h6-9,15,17-18H,3-5,10-12H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol?
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117118109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).