[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol

C16H27N3O2 — CID 114776411

IUPAC[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1ccncc1)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H27N3O2/c1-4-14(17)15(12-5-7-18-8-6-12)19-9-13(10-20)21-16(2,3)11-19/h5-8,13-15,20H,4,9-11,17H2,1-3H3
InChIKeyZQRRIHNJMKZRDW-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.33
Rot. Bonds5

About [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776411) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776411
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCC(N)C(c1ccncc1)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C16H27N3O2/c1-4-14(17)15(12-5-7-18-8-6-12)19-9-13(10-20)21-16(2,3)11-19/h5-8,13-15,20H,4,9-11,17H2,1-3H3
InChIKeyZQRRIHNJMKZRDW-UHFFFAOYSA-N
XLogP1.33
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-amino-1-pyridin-4-ylbutyl)morpholin-2-yl]methanol
CID 81205938
[4-[2-amino-1-(4-bromothiophen-2-yl)butyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776331
1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
CID 106835579
(6,6-dimethyl-4-pentan-2-ylmorpholin-2-yl)methanol
CID 107886053
[4-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969852
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969828
[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932098
1-(1,4-oxazepan-4-yl)-1-pyridin-4-ylbutan-2-amine
CID 62988625
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
CID 104969817
[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776412
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol
CID 81205355

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114776411) is [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol is CCC(N)C(c1ccncc1)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is ZQRRIHNJMKZRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-14(17)15(12-5-7-18-8-6-12)19-9-13(10-20)21-16(2,3)11-19/h5-8,13-15,20H,4,9-11,17H2,1-3H3.
What are the key properties of [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).