3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride

C14H21Cl2N3 — CID 69341513

IUPAC3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride
SMILESCl.Cl.c1cncc(C2C3CCN(C3)C23CCNC3)c1
InChIInChI=1S/C14H19N3.2ClH/c1-2-11(8-15-5-1)13-12-3-7-17(9-12)14(13)4-6-16-10-14;;/h1-2,5,8,12-13,16H,3-4,6-7,9-10H2;2*1H
InChIKeyLECKYJKNRBYBKU-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.08
Rot. Bonds1

About 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride

3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride (PubChem CID 69341513) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride.

Molecular Properties

Compound Name3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride
PubChem CID69341513
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride
SMILESCl.Cl.c1cncc(C2C3CCN(C3)C23CCNC3)c1
InChIInChI=1S/C14H19N3.2ClH/c1-2-11(8-15-5-1)13-12-3-7-17(9-12)14(13)4-6-16-10-14;;/h1-2,5,8,12-13,16H,3-4,6-7,9-10H2;2*1H
InChIKeyLECKYJKNRBYBKU-UHFFFAOYSA-N
XLogP2.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
CID 69341514
(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
CID 69341404
(2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
CID 69341568
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
(4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 101385535
3-pyrrolidin-3-ylpyridine
CID 3613651
3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
CID 120903790
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
4-pyridin-3-ylazepane
CID 83262248
1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide
CID 21428792
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride?
The IUPAC name of 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride (CID 69341513) is 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride.
What is the SMILES notation for 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride?
The canonical SMILES for 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride is Cl.Cl.c1cncc(C2C3CCN(C3)C23CCNC3)c1.
What is the InChIKey of 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride?
The InChIKey is LECKYJKNRBYBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.2ClH/c1-2-11(8-15-5-1)13-12-3-7-17(9-12)14(13)4-6-16-10-14;;/h1-2,5,8,12-13,16H,3-4,6-7,9-10H2;2*1H.
What are the key properties of 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride?
3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride has a molecular weight of 302.25 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride is sourced from PubChem (CID 69341513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).