benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine

C20H27N3O — CID 143977024

IUPACbenzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESc1ccccc1.c1ncc(N2CCCC2)cc1OCC1CCCN1
InChIInChI=1S/C14H21N3O.C6H6/c1-2-7-17(6-1)13-8-14(10-15-9-13)18-11-12-4-3-5-16-12;1-2-4-6-5-3-1/h8-10,12,16H,1-7,11H2;1-6H
InChIKeyLMHKERQQHJXRPD-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.50
Rot. Bonds4

About benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine

benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 143977024) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Namebenzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID143977024
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Namebenzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESc1ccccc1.c1ncc(N2CCCC2)cc1OCC1CCCN1
InChIInChI=1S/C14H21N3O.C6H6/c1-2-7-17(6-1)13-8-14(10-15-9-13)18-11-12-4-3-5-16-12;1-2-4-6-5-3-1/h8-10,12,16H,1-7,11H2;1-6H
InChIKeyLMHKERQQHJXRPD-UHFFFAOYSA-N
XLogP3.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
4-[2-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperidin-4-yl]ethoxy]phenol
CID 59371523
3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 68612034
3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 70881858
3-[3-(3-phenylmethoxypropyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
CID 68612270
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
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
(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-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908

Frequently Asked Questions

What is the IUPAC name of benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine (CID 143977024) is benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine is c1ccccc1.c1ncc(N2CCCC2)cc1OCC1CCCN1.
What is the InChIKey of benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is LMHKERQQHJXRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.C6H6/c1-2-7-17(6-1)13-8-14(10-15-9-13)18-11-12-4-3-5-16-12;1-2-4-6-5-3-1/h8-10,12,16H,1-7,11H2;1-6H.
What are the key properties of benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine?
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine has a molecular weight of 325.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 143977024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).