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

C12H20N2O — CID 115882687

IUPAC1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1Cc1cc[nH]c1
InChIInChI=1S/C12H20N2O/c1-10(15)12-4-2-3-7-14(12)9-11-5-6-13-8-11/h5-6,8,10,12-13,15H,2-4,7,9H2,1H3
InChIKeyGFTVBPLSAURJQR-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.75
Rot. Bonds3

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

1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol (PubChem CID 115882687) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
PubChem CID115882687
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1Cc1cc[nH]c1
InChIInChI=1S/C12H20N2O/c1-10(15)12-4-2-3-7-14(12)9-11-5-6-13-8-11/h5-6,8,10,12-13,15H,2-4,7,9H2,1H3
InChIKeyGFTVBPLSAURJQR-UHFFFAOYSA-N
XLogP1.75
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
1-[1-(furan-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882688
[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol
CID 115879655
2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol
CID 141293787
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 129390025
1-[1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 59300179
(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 95353429
(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol
CID 95354319
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 115882282
(1R)-1-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414164

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol (CID 115882687) is 1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol is CC(O)C1CCCCN1Cc1cc[nH]c1.
What is the InChIKey of 1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol?
The InChIKey is GFTVBPLSAURJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(15)12-4-2-3-7-14(12)9-11-5-6-13-8-11/h5-6,8,10,12-13,15H,2-4,7,9H2,1H3.
What are the key properties of 1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol?
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol has a molecular weight of 208.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 115882687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).