(3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol

C11H18N2O2 — CID 175887740

IUPAC(3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(CC2=CCNC=C2)C[C@@H]1O
InChIInChI=1S/C11H18N2O2/c1-15-11-8-13(7-10(11)14)6-9-2-4-12-5-3-9/h2-4,10-12,14H,5-8H2,1H3/t10-,11+/m0/s1
InChIKeyYPNMUTHNEYWXCD-WDEREUQCSA-N
MW210.28 g/mol
LogP-0.28
Rot. Bonds3

About (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol

(3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol (PubChem CID 175887740) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol
PubChem CID175887740
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(CC2=CCNC=C2)C[C@@H]1O
InChIInChI=1S/C11H18N2O2/c1-15-11-8-13(7-10(11)14)6-9-2-4-12-5-3-9/h2-4,10-12,14H,5-8H2,1H3/t10-,11+/m0/s1
InChIKeyYPNMUTHNEYWXCD-WDEREUQCSA-N
XLogP-0.28
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol (CID 175887740) is (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol is CO[C@@H]1CN(CC2=CCNC=C2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol?
The InChIKey is YPNMUTHNEYWXCD-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-11-8-13(7-10(11)14)6-9-2-4-12-5-3-9/h2-4,10-12,14H,5-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol?
(3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol has a molecular weight of 210.28 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(1,2-dihydropyridin-4-ylmethyl)-4-methoxypyrrolidin-3-ol is sourced from PubChem (CID 175887740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).