(1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol

C14H22N2O3 — CID 75529424

IUPAC(1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
SMILESCc1cccc(OC[C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C14H22N2O3/c1-9-5-4-6-12(15-9)19-8-10-7-11(16(2)3)14(18)13(10)17/h4-6,10-11,13-14,17-18H,7-8H2,1-3H3/t10-,11-,13-,14+/m1/s1
InChIKeyNUVRLXJYUOIHMX-OXHZDVMGSA-N
MW266.34 g/mol
LogP0.44
Rot. Bonds4

About (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol (PubChem CID 75529424) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
PubChem CID75529424
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
SMILESCc1cccc(OC[C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C14H22N2O3/c1-9-5-4-6-12(15-9)19-8-10-7-11(16(2)3)14(18)13(10)17/h4-6,10-11,13-14,17-18H,7-8H2,1-3H3/t10-,11-,13-,14+/m1/s1
InChIKeyNUVRLXJYUOIHMX-OXHZDVMGSA-N
XLogP0.44
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

cis-(1R,2S)-4-[[(4-fluorophenyl)methylamino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
CID 75367896
cis-(1S,2R)-4-[(6-methyl-2-pyridinyl)oxymethyl]-4-[(oxan-4-ylamino)methyl]cyclopentane-1,2-diol
CID 75367900
1-[4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]amino]piperidin-1-yl]ethanone
CID 75529425
1-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-propan-2-ylurea
CID 75367833
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]morpholine-4-carboxamide
CID 75367845
cis-(1S,2R)-4-[(cyclobutylamino)methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
CID 75367894
cis-(1S,2R)-4-[(2-methylpropylamino)methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
CID 75367897
cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
CID 75367898
cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
CID 75367903
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-phenylurea
CID 75529473
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-3-propylurea
CID 75529474
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]cyclopentanecarboxamide
CID 75529503

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol (CID 75529424) is (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol is Cc1cccc(OC[C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The InChIKey is NUVRLXJYUOIHMX-OXHZDVMGSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-5-4-6-12(15-9)19-8-10-7-11(16(2)3)14(18)13(10)17/h4-6,10-11,13-14,17-18H,7-8H2,1-3H3/t10-,11-,13-,14+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol has a molecular weight of 266.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75529424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).