[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol

C14H22N2O2 — CID 66058388

IUPAC[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
SMILESCOc1c(C)cnc(CC2(CO)CCNC2)c1C
InChIInChI=1S/C14H22N2O2/c1-10-7-16-12(11(2)13(10)18-3)6-14(9-17)4-5-15-8-14/h7,15,17H,4-6,8-9H2,1-3H3
InChIKeyNFVLDXZGDJAFDC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.22
Rot. Bonds4

About [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol

[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 66058388) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID66058388
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
SMILESCOc1c(C)cnc(CC2(CO)CCNC2)c1C
InChIInChI=1S/C14H22N2O2/c1-10-7-16-12(11(2)13(10)18-3)6-14(9-17)4-5-15-8-14/h7,15,17H,4-6,8-9H2,1-3H3
InChIKeyNFVLDXZGDJAFDC-UHFFFAOYSA-N
XLogP1.22
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol (CID 66058388) is [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol is COc1c(C)cnc(CC2(CO)CCNC2)c1C.
What is the InChIKey of [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is NFVLDXZGDJAFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-16-12(11(2)13(10)18-3)6-14(9-17)4-5-15-8-14/h7,15,17H,4-6,8-9H2,1-3H3.
What are the key properties of [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol?
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66058388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).