[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol

C11H18N2O — CID 115879655

IUPAC[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1cc[nH]c1
InChIInChI=1S/C11H18N2O/c14-9-11-3-1-2-6-13(11)8-10-4-5-12-7-10/h4-5,7,11-12,14H,1-3,6,8-9H2
InChIKeyZXZTZKLFZMGNJG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.36
Rot. Bonds3

About [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol

[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol (PubChem CID 115879655) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol
PubChem CID115879655
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1cc[nH]c1
InChIInChI=1S/C11H18N2O/c14-9-11-3-1-2-6-13(11)8-10-4-5-12-7-10/h4-5,7,11-12,14H,1-3,6,8-9H2
InChIKeyZXZTZKLFZMGNJG-UHFFFAOYSA-N
XLogP1.36
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 115882282
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882687
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
4-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86319149
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
N-[[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 167775933
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406545
2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
CID 61406900
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952

Frequently Asked Questions

What is the IUPAC name of [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol (CID 115879655) is [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol is OCC1CCCCN1Cc1cc[nH]c1.
What is the InChIKey of [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol?
The InChIKey is ZXZTZKLFZMGNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-9-11-3-1-2-6-13(11)8-10-4-5-12-7-10/h4-5,7,11-12,14H,1-3,6,8-9H2.
What are the key properties of [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol?
[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol has a molecular weight of 194.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol is sourced from PubChem (CID 115879655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).