3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol

C17H27N3O2 — CID 70881858

IUPAC3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
SMILESOCCCC1CCN(c2cncc(OC[C@@H]3CCCN3)c2)C1
InChIInChI=1S/C17H27N3O2/c21-8-2-3-14-5-7-20(12-14)16-9-17(11-18-10-16)22-13-15-4-1-6-19-15/h9-11,14-15,19,21H,1-8,12-13H2/t14?,15-/m0/s1
InChIKeyKNHPLYLGEPOCMU-LOACHALJSA-N
MW305.42 g/mol
LogP1.81
Rot. Bonds7

About 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol

3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol (PubChem CID 70881858) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
PubChem CID70881858
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
SMILESOCCCC1CCN(c2cncc(OC[C@@H]3CCCN3)c2)C1
InChIInChI=1S/C17H27N3O2/c21-8-2-3-14-5-7-20(12-14)16-9-17(11-18-10-16)22-13-15-4-1-6-19-15/h9-11,14-15,19,21H,1-8,12-13H2/t14?,15-/m0/s1
InChIKeyKNHPLYLGEPOCMU-LOACHALJSA-N
XLogP1.81
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 68612034
3-[3-(3-phenylmethoxypropyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
CID 68612270
tert-butyl (2S)-2-[[5-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate;3-[(3S)-1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 157324845
4-[2-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperidin-4-yl]ethoxy]phenol
CID 59371523
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 143976866
3-[4-(2-cyclohexyloxyethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 68611410
3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 159732706
3-[4-[2-(pyridin-3-ylmethoxy)ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 59371754
(5S)-5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 59371335
3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
CID 59371346
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol (CID 70881858) is 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol is OCCCC1CCN(c2cncc(OC[C@@H]3CCCN3)c2)C1.
What is the InChIKey of 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol?
The InChIKey is KNHPLYLGEPOCMU-LOACHALJSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-8-2-3-14-5-7-20(12-14)16-9-17(11-18-10-16)22-13-15-4-1-6-19-15/h9-11,14-15,19,21H,1-8,12-13H2/t14?,15-/m0/s1.
What are the key properties of 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol?
3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol is sourced from PubChem (CID 70881858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).