cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol

C19H31N3O3 — CID 75367898

IUPACcis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
SMILESCc1cccc(OCC2(CNC3CCN(C)CC3)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C19H31N3O3/c1-14-4-3-5-18(21-14)25-13-19(10-16(23)17(24)11-19)12-20-15-6-8-22(2)9-7-15/h3-5,15-17,20,23-24H,6-13H2,1-2H3/t16-,17+,19?
InChIKeyWLRGGGDWCQBVQW-JJTKIYQPSA-N
MW349.48 g/mol
LogP0.95
Rot. Bonds6

About cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol

cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol (PubChem CID 75367898) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
PubChem CID75367898
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Namecis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
SMILESCc1cccc(OCC2(CNC3CCN(C)CC3)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C19H31N3O3/c1-14-4-3-5-18(21-14)25-13-19(10-16(23)17(24)11-19)12-20-15-6-8-22(2)9-7-15/h3-5,15-17,20,23-24H,6-13H2,1-2H3/t16-,17+,19?
InChIKeyWLRGGGDWCQBVQW-JJTKIYQPSA-N
XLogP0.95
TPSA77.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The IUPAC name of cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol (CID 75367898) is cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol is Cc1cccc(OCC2(CNC3CCN(C)CC3)C[C@@H](O)[C@@H](O)C2)n1.
What is the InChIKey of cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
The InChIKey is WLRGGGDWCQBVQW-JJTKIYQPSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14-4-3-5-18(21-14)25-13-19(10-16(23)17(24)11-19)12-20-15-6-8-22(2)9-7-15/h3-5,15-17,20,23-24H,6-13H2,1-2H3/t16-,17+,19?.
What are the key properties of cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol?
cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol has a molecular weight of 349.48 g/mol, XLogP of 0.95, 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-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75367898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).