4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol

C14H22N2O3 — CID 162796182

IUPAC4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESCN(C)CC1(COc2cccnc2)CC(O)C(O)C1
InChIInChI=1S/C14H22N2O3/c1-16(2)9-14(6-12(17)13(18)7-14)10-19-11-4-3-5-15-8-11/h3-5,8,12-13,17-18H,6-7,9-10H2,1-2H3
InChIKeyIJYFCPFKOBKDLZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.52
Rot. Bonds5

About 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol

4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (PubChem CID 162796182) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
PubChem CID162796182
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESCN(C)CC1(COc2cccnc2)CC(O)C(O)C1
InChIInChI=1S/C14H22N2O3/c1-16(2)9-14(6-12(17)13(18)7-14)10-19-11-4-3-5-15-8-11/h3-5,8,12-13,17-18H,6-7,9-10H2,1-2H3
InChIKeyIJYFCPFKOBKDLZ-UHFFFAOYSA-N
XLogP0.52
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-2-yl]-methanol
CID 44319235
2-[(6-Methoxy-3-pyridinyl)oxy]ethyl-trimethylazanium chloride
CID 44330544
2-[(6-methoxy-3-pyridinyl)oxy]-N,N-dimethylethanamine
CID 44340716
cis-(1S,2R)-4-[(cyclopentylmethylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol
CID 75367926
N-ethyl-2-[(6-methoxy-3-pyridinyl)oxy]-N-methylethanamine
CID 44302526
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-pyridin-3-yloxyhexyl)piperidine-3,4,5-triol
CID 60170344
cis-(1S,2R)-4-[[(4-fluorophenyl)methylamino]methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol
CID 75367914
2-{[2-(2-Dimethylaminoethoxy)-3-pyridinyl]oxy}ethanol
CID 11708396
6-Pyridin-3-yloxyhexan-1-ol
CID 13368809
(5-(2-[2-(2-Methoxyethoxy)ethoxy]ethoxy)pyridin-2-yl)methanol
CID 104564081
7-Pyridin-3-yloxyheptan-1-ol
CID 70692702
cis-(1R,2S)-4-[[(4-methoxyphenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
CID 75367874

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The IUPAC name of 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (CID 162796182) is 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is CN(C)CC1(COc2cccnc2)CC(O)C(O)C1.
What is the InChIKey of 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The InChIKey is IJYFCPFKOBKDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(2)9-14(6-12(17)13(18)7-14)10-19-11-4-3-5-15-8-11/h3-5,8,12-13,17-18H,6-7,9-10H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol has a molecular weight of 266.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 162796182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).