(1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride

C17H27Cl2N3 — CID 154914596

IUPAC(1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
SMILESCl.Cl.NC1[C@@H]2CC[C@H]1CN(C1CCN(c3ccccc3)C1)C2
InChIInChI=1S/C17H25N3.2ClH/c18-17-13-6-7-14(17)11-20(10-13)16-8-9-19(12-16)15-4-2-1-3-5-15;;/h1-5,13-14,16-17H,6-12,18H2;2*1H/t13-,14+,16?,17?;;
InChIKeyNSCZGOSEBDLNER-XWLKUSPGSA-N
MW344.33 g/mol
LogP2.78
Rot. Bonds2

About (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride

(1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride (PubChem CID 154914596) has the molecular formula C17H27Cl2N3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride.

Molecular Properties

Compound Name(1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
PubChem CID154914596
Molecular FormulaC17H27Cl2N3
Molecular Weight344.33 g/mol
Exact Mass343.16
IUPAC Name(1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
SMILESCl.Cl.NC1[C@@H]2CC[C@H]1CN(C1CCN(c3ccccc3)C1)C2
InChIInChI=1S/C17H25N3.2ClH/c18-17-13-6-7-14(17)11-20(10-13)16-8-9-19(12-16)15-4-2-1-3-5-15;;/h1-5,13-14,16-17H,6-12,18H2;2*1H/t13-,14+,16?,17?;;
InChIKeyNSCZGOSEBDLNER-XWLKUSPGSA-N
XLogP2.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride with MolForge

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Related Compounds

(1S,5R)-3-[1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154904520
(1S,5R)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 126449938
(2R,6S)-2,6-dimethyl-4-(1-phenylpyrrolidin-3-yl)morpholine
CID 131936440
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
2-(1-phenylpyrrolidin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 162625354
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
(4aS,7aS)-6-(1-phenylpiperidin-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106820720
(7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
CID 141032267
2-[(3S)-1-phenylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecane
CID 126432847
1-phenylpyrrolidin-3-ol
CID 11171152
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 106821074

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride?
The IUPAC name of (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride (CID 154914596) is (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride.
What is the SMILES notation for (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride?
The canonical SMILES for (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride is Cl.Cl.NC1[C@@H]2CC[C@H]1CN(C1CCN(c3ccccc3)C1)C2.
What is the InChIKey of (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride?
The InChIKey is NSCZGOSEBDLNER-XWLKUSPGSA-N. The full InChI is InChI=1S/C17H25N3.2ClH/c18-17-13-6-7-14(17)11-20(10-13)16-8-9-19(12-16)15-4-2-1-3-5-15;;/h1-5,13-14,16-17H,6-12,18H2;2*1H/t13-,14+,16?,17?;;.
What are the key properties of (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride?
(1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride has a molecular weight of 344.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(1-phenylpyrrolidin-3-yl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride is sourced from PubChem (CID 154914596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).