[4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol

C14H23N3O — CID 55160483

IUPAC[4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol
SMILESCCN(CC)C1CCN(c2ccnc(CO)c2)C1
InChIInChI=1S/C14H23N3O/c1-3-16(4-2)14-6-8-17(10-14)13-5-7-15-12(9-13)11-18/h5,7,9,14,18H,3-4,6,8,10-11H2,1-2H3
InChIKeyKEXQNZMGQDSKHW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.49
Rot. Bonds5

About [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol

[4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol (PubChem CID 55160483) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol
PubChem CID55160483
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol
SMILESCCN(CC)C1CCN(c2ccnc(CO)c2)C1
InChIInChI=1S/C14H23N3O/c1-3-16(4-2)14-6-8-17(10-14)13-5-7-15-12(9-13)11-18/h5,7,9,14,18H,3-4,6,8,10-11H2,1-2H3
InChIKeyKEXQNZMGQDSKHW-UHFFFAOYSA-N
XLogP1.49
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol (CID 55160483) is [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol is CCN(CC)C1CCN(c2ccnc(CO)c2)C1.
What is the InChIKey of [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol?
The InChIKey is KEXQNZMGQDSKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-16(4-2)14-6-8-17(10-14)13-5-7-15-12(9-13)11-18/h5,7,9,14,18H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol?
[4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(diethylamino)pyrrolidin-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 55160483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).