[(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol

C14H22N2O2 — CID 57091133

IUPAC[(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1c(C)cnc(CN2CCC[C@H]2CO)c1C
InChIInChI=1S/C14H22N2O2/c1-10-7-15-13(11(2)14(10)18-3)8-16-6-4-5-12(16)9-17/h7,12,17H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyDPHXXCNRVZRASY-LBPRGKRZSA-N
MW250.34 g/mol
LogP1.66
Rot. Bonds4

About [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 57091133) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID57091133
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1c(C)cnc(CN2CCC[C@H]2CO)c1C
InChIInChI=1S/C14H22N2O2/c1-10-7-15-13(11(2)14(10)18-3)8-16-6-4-5-12(16)9-17/h7,12,17H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyDPHXXCNRVZRASY-LBPRGKRZSA-N
XLogP1.66
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol (CID 57091133) is [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol is COc1c(C)cnc(CN2CCC[C@H]2CO)c1C.
What is the InChIKey of [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is DPHXXCNRVZRASY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-15-13(11(2)14(10)18-3)8-16-6-4-5-12(16)9-17/h7,12,17H,4-6,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 57091133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).