3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol

C13H19NO — CID 70461714

IUPAC3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
SMILESC[C@@H]1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C13H19NO/c1-11-4-3-7-14(9-11)10-12-5-2-6-13(15)8-12/h2,5-6,8,11,15H,3-4,7,9-10H2,1H3/t11-/m1/s1
InChIKeyQVDQDDRCNWEBIU-LLVKDONJSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds2

About 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol

3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol (PubChem CID 70461714) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
PubChem CID70461714
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
SMILESC[C@@H]1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C13H19NO/c1-11-4-3-7-14(9-11)10-12-5-2-6-13(15)8-12/h2,5-6,8,11,15H,3-4,7,9-10H2,1H3/t11-/m1/s1
InChIKeyQVDQDDRCNWEBIU-LLVKDONJSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methylpiperidine
CID 2794856
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
2-[[3-[(3-methylpiperidin-1-yl)methyl]anilino]methylidene]propanedinitrile
CID 168542292
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol (CID 70461714) is 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol is C[C@@H]1CCCN(Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol?
The InChIKey is QVDQDDRCNWEBIU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-3-7-14(9-11)10-12-5-2-6-13(15)8-12/h2,5-6,8,11,15H,3-4,7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol?
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol is sourced from PubChem (CID 70461714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).