cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride

C17H28Cl2N2O4 — CID 146119514

IUPACcis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride
SMILESCl.Cl.O[C@@H]1CC(CNC2CCOCC2)(COc2cccnc2)C[C@@H]1O
InChIInChI=1S/C17H26N2O4.2ClH/c20-15-8-17(9-16(15)21,11-19-13-3-6-22-7-4-13)12-23-14-2-1-5-18-10-14;;/h1-2,5,10,13,15-16,19-21H,3-4,6-9,11-12H2;2*1H/t15-,16+,17?;;
InChIKeyOALNZDVXBUHPMN-YFSQYZQRSA-N
MW395.33 g/mol
LogP1.57
Rot. Bonds6

About cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride

cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride (PubChem CID 146119514) has the molecular formula C17H28Cl2N2O4 and a molecular weight of 395.33 g/mol. Its IUPAC name is cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride
PubChem CID146119514
Molecular FormulaC17H28Cl2N2O4
Molecular Weight395.33 g/mol
Exact Mass394.14
IUPAC Namecis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride
SMILESCl.Cl.O[C@@H]1CC(CNC2CCOCC2)(COc2cccnc2)C[C@@H]1O
InChIInChI=1S/C17H26N2O4.2ClH/c20-15-8-17(9-16(15)21,11-19-13-3-6-22-7-4-13)12-23-14-2-1-5-18-10-14;;/h1-2,5,10,13,15-16,19-21H,3-4,6-9,11-12H2;2*1H/t15-,16+,17?;;
InChIKeyOALNZDVXBUHPMN-YFSQYZQRSA-N
XLogP1.57
TPSA83.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(dimethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
CID 162796182
N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368049
N-[[3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 163045429
4-[[(3-chlorophenyl)methylamino]methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
CID 118747717
[4-(pyridin-3-yloxymethyl)oxan-4-yl]methanamine
CID 117051343
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
N-[[3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 118747494
1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
CID 117238948
N-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyridin-3-yloxyacetamide
CID 90597591
cis-(1R,2S)-N,2-dimethyl-1-(pyridin-3-yloxymethyl)cyclopropan-1-amine
CID 15980554
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
CID 77087174
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride?
The IUPAC name of cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride (CID 146119514) is cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride.
What is the SMILES notation for cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride?
The canonical SMILES for cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride is Cl.Cl.O[C@@H]1CC(CNC2CCOCC2)(COc2cccnc2)C[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride?
The InChIKey is OALNZDVXBUHPMN-YFSQYZQRSA-N. The full InChI is InChI=1S/C17H26N2O4.2ClH/c20-15-8-17(9-16(15)21,11-19-13-3-6-22-7-4-13)12-23-14-2-1-5-18-10-14;;/h1-2,5,10,13,15-16,19-21H,3-4,6-9,11-12H2;2*1H/t15-,16+,17?;;.
What are the key properties of cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride?
cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride has a molecular weight of 395.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-[(oxan-4-ylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol;dihydrochloride is sourced from PubChem (CID 146119514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).