3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol

C19H24N2O2 — CID 59371346

IUPAC3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
SMILESOCCCc1cccc(-c2cncc(OCC3CCCN3)c2)c1
InChIInChI=1S/C19H24N2O2/c22-9-3-5-15-4-1-6-16(10-15)17-11-19(13-20-12-17)23-14-18-7-2-8-21-18/h1,4,6,10-13,18,21-22H,2-3,5,7-9,14H2
InChIKeyPTLNKMUIARFCHT-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.80
Rot. Bonds7

About 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol

3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol (PubChem CID 59371346) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
PubChem CID59371346
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
SMILESOCCCc1cccc(-c2cncc(OCC3CCCN3)c2)c1
InChIInChI=1S/C19H24N2O2/c22-9-3-5-15-4-1-6-16(10-15)17-11-19(13-20-12-17)23-14-18-7-2-8-21-18/h1,4,6,10-13,18,21-22H,2-3,5,7-9,14H2
InChIKeyPTLNKMUIARFCHT-UHFFFAOYSA-N
XLogP2.80
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol?
The IUPAC name of 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol (CID 59371346) is 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol is OCCCc1cccc(-c2cncc(OCC3CCCN3)c2)c1.
What is the InChIKey of 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol?
The InChIKey is PTLNKMUIARFCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-9-3-5-15-4-1-6-16(10-15)17-11-19(13-20-12-17)23-14-18-7-2-8-21-18/h1,4,6,10-13,18,21-22H,2-3,5,7-9,14H2.
What are the key properties of 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol?
3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol has a molecular weight of 312.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol is sourced from PubChem (CID 59371346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).