[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol

C12H20N2O2 — CID 115751845

IUPAC[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol
SMILESOCC1(CNCc2cc[nH]c2)CCOCC1
InChIInChI=1S/C12H20N2O2/c15-10-12(2-5-16-6-3-12)9-14-8-11-1-4-13-7-11/h1,4,7,13-15H,2-3,5-6,8-10H2
InChIKeyPFRHBHMEQIDBDR-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.89
Rot. Bonds5

About [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol

[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol (PubChem CID 115751845) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol
PubChem CID115751845
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol
SMILESOCC1(CNCc2cc[nH]c2)CCOCC1
InChIInChI=1S/C12H20N2O2/c15-10-12(2-5-16-6-3-12)9-14-8-11-1-4-13-7-11/h1,4,7,13-15H,2-3,5-6,8-10H2
InChIKeyPFRHBHMEQIDBDR-UHFFFAOYSA-N
XLogP0.89
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115686396
1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 115686214
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115694288
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 104704966
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082
[4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxan-4-yl]methanol
CID 86814252
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 66410016
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246905
[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol
CID 115247180
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
4-[(1H-pyrrol-3-ylmethylamino)methyl]phenol
CID 115686154
[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478336

Frequently Asked Questions

What is the IUPAC name of [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol (CID 115751845) is [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol is OCC1(CNCc2cc[nH]c2)CCOCC1.
What is the InChIKey of [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol?
The InChIKey is PFRHBHMEQIDBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-10-12(2-5-16-6-3-12)9-14-8-11-1-4-13-7-11/h1,4,7,13-15H,2-3,5-6,8-10H2.
What are the key properties of [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol?
[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol has a molecular weight of 224.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 115751845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).